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 conservative optimisationAfter full optimisation
R0.17160.17020.16280.1623
R-free0.22580.22020.20560.2041
σR-free 0.00380.00350.0035
R-free Z-score -3.18-1.86-1.60

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1-0.994-0.863-0.848
2nd generation packing quality1-1.802-1.751-1.666
Ramachandran plot appearance1-1.797-0.903-0.843
Chi-1/Chi-2 rotamer normality1-1.843-1.039-0.821
Backbone conformation1-0.715-0.443-0.419
Bond length RMS Z-score20.9080.6820.667
Bond angle RMS Z-score20.9680.8470.823
Total number of bumps3956168
Unsatisfied H-bond donors/acceptors3346565
Full WHAT_CHECK reportsLink LinkLink

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

Electron density map validation
Real-space correlation coefficientReal-space R-factor
Significantly improved residues3422
Significantly deteriorated residues219
Changes of all residuesPlot Plot

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