Optimised PDB entry 4bvh



Structure
SpacegroupP 21 21 21
Cell dimensionsa: 63.710 Åb: 66.530 Åc: 201.240 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution1.90 Å

Experimental data
ReflectionsAll: 68288Test set: 3415 (5.0%)
Resolution range34.44 Å1.90 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.17160.17010.16960.1648
R-free0.22580.22030.20880.2059
σR-free 0.00380.00360.0035
Z(R-free) -3.24-0.39-1.26

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-0.994-0.852-0.867
2nd generation packing quality1-1.802-1.703-1.662
Ramachandran plot appearance1-1.797-0.801-0.833
Chi-1/Chi-2 rotamer normality1-1.843-0.954-0.859
Backbone conformation1-0.715-0.453-0.333
Bond length RMS Z-score20.9080.6350.760
Bond angle RMS Z-score20.9680.8590.920
Total number of bumps3954759
Unsatisfied H-bond donors/acceptors3696264
LinkLinkLink

1 Higher is better, 2 Should be lower than 1.000, 3 Fewer is better


Density map fit (real-space correlation coefficient)
Significantly improved residues25
Significantly deteriorated residues7
Changes of all residuesPlot

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