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
R0.17160.17010.16960.1644
R-free0.22580.22030.20870.2048
σR-free 0.00380.00360.0035
Z(R-free) -3.24-0.36-1.09

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-0.994-0.854-0.870
2nd generation packing quality1-1.802-1.695-1.664
Ramachandran plot appearance1-1.797-0.812-0.877
Chi-1/Chi-2 rotamer normality1-1.843-0.959-0.890
Backbone conformation1-0.715-0.452-0.426
Bond length RMS Z-score20.9080.6350.761
Bond angle RMS Z-score20.9680.8600.904
Total number of bumps3954650
Unsatisfied H-bond donors/acceptors3696266
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 residues32
Significantly deteriorated residues7
Changes of all residuesPlot

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