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
R0.17160.16980.16400.1618
R-free0.22580.22070.20340.2008
σR-free 0.00380.00350.0034
Z(R-free) -3.45-0.83-0.85

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-0.993-0.865-0.854
2nd generation packing quality1-2.301-2.199-2.262
Ramachandran plot appearance1-2.459-1.200-1.193
Chi-1/Chi-2 rotamer normality1-2.897-1.951-1.922
Backbone conformation1-0.869-0.585-0.590
Bond length RMS Z-score20.9080.7170.702
Bond angle RMS Z-score20.9680.8810.856
Total number of bumps3622629
Unsatisfied H-bond donors/acceptors3585550
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 residues29
Significantly deteriorated residues5
Changes of all residuesPlot

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