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
R0.17160.17010.17000.1639
R-free0.22580.22040.20940.2044
σR-free 0.00380.00360.0035
Z(R-free) -3.26-0.42-1.14

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-0.0350.004-0.023
2nd generation packing quality1-1.801-1.705-1.710
Ramachandran plot appearance1-1.804-1.116-1.112
Chi-1/Chi-2 rotamer normality1-2.469-1.584-1.762
Backbone conformation11.9492.1282.137
Bond length RMS Z-score20.9080.6460.768
Bond angle RMS Z-score20.9680.8650.909
Total number of bumps3954847
Unsatisfied H-bond donors/acceptors309294
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 residues30
Significantly deteriorated residues10
Changes of all residuesPlot

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