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heslo Harmonie obrubník rwork rfree gap předpověď Štěrk bunkr

Model Selection for Biological Crystallography
Model Selection for Biological Crystallography

Using similarity restraints in refinement
Using similarity restraints in refinement

Model Selection for Biological Crystallography
Model Selection for Biological Crystallography

Crystallographic Structure Validation
Crystallographic Structure Validation

Rfree and the Rfree ratio
Rfree and the Rfree ratio

Data collection and model refinement statistics | Download Table
Data collection and model refinement statistics | Download Table

Better models by discarding data?
Better models by discarding data?

Supplementary Materials for
Supplementary Materials for

Crystallographic Structure Validation - Phenix
Crystallographic Structure Validation - Phenix

Tristan Croll on Twitter:
Tristan Croll on Twitter: "Some more fun with ISOLDE's adaptive restraints (testing for stability before releasing the official 1.0b5, as much as anything). Today I picked on 1z0v, a 3A crystal from

Crystallographic Structure Validation
Crystallographic Structure Validation

Crystals | Free Full-Text | Resolution Dependence of an Ab Initio Phasing  Method in Protein X-ray Crystallography | HTML
Crystals | Free Full-Text | Resolution Dependence of an Ab Initio Phasing Method in Protein X-ray Crystallography | HTML

Better models by discarding data?
Better models by discarding data?

Crystallography data collection and refinement statistics. | Download Table
Crystallography data collection and refinement statistics. | Download Table

How to reduce large gap between R work and R free ?
How to reduce large gap between R work and R free ?

Covid19ReRefineTake1 - Kwiki
Covid19ReRefineTake1 - Kwiki

AutoBusterExample1osgBasicNCS - Kwiki
AutoBusterExample1osgBasicNCS - Kwiki

Data collection and refinement statistics | Download Table
Data collection and refinement statistics | Download Table

Data collection and refinement statistics | Download Table
Data collection and refinement statistics | Download Table

Use of knowledge-based restraints in phenix.refine to improve  macromolecular refinement at low resolution
Use of knowledge-based restraints in phenix.refine to improve macromolecular refinement at low resolution

Data collection and refinement statistics. | Download Table
Data collection and refinement statistics. | Download Table

Data quality
Data quality

X-ray crystallography–based structural elucidation of enzyme-bound  intermediates along the 1‑deoxy‑d‑xylulose 5-phosphat
X-ray crystallography–based structural elucidation of enzyme-bound intermediates along the 1‑deoxy‑d‑xylulose 5-phosphat

AutoBusterExample4chawaterNCS - Kwiki
AutoBusterExample4chawaterNCS - Kwiki

A description of the structural determination procedures of a gap junction  channel at 3.5 Å resolution – topic of research paper in Chemical sciences.  Download scholarly article PDF and read for free
A description of the structural determination procedures of a gap junction channel at 3.5 Å resolution – topic of research paper in Chemical sciences. Download scholarly article PDF and read for free

Tristan Croll on Twitter:
Tristan Croll on Twitter: "Well... remember what refinement is doing. Essentially, it's trying to make your model look as much like your data as it can, subject to the restraints you provide.

Macromolecular refinement of X-ray and cryo-electron microscopy structures  with Phenix / OPLS3e for improved structure and ligand quality | bioRxiv
Macromolecular refinement of X-ray and cryo-electron microscopy structures with Phenix / OPLS3e for improved structure and ligand quality | bioRxiv

Refinement statistics and model quality of the Ca MalDH structure. |  Download Table
Refinement statistics and model quality of the Ca MalDH structure. | Download Table