PDB entry 4br0



Structure
SpacegroupP 21 21 21
Cell dimensionsa: 41.170 Åb: 69.130 Åc: 164.510 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution2.05 Å

Experimental data
ReflectionsAll: 30008Test set: 1071 (3.6%)
Resolution range35.37 Å2.05 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.16900.19480.16670.1676
R-free0.21850.23110.20030.2019
σR-free 0.00710.00610.0062
R-free Z-score 1.481.070.97

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1-0.293-0.341-0.340
2nd generation packing quality1-0.911-1.012-0.956
Ramachandran plot appearance1-0.3420.0850.188
Chi-1/Chi-2 rotamer normality1-1.594-0.723-0.508
Backbone conformation1-0.476-0.240-0.201
Bond length RMS Z-score20.8990.4140.413
Bond angle RMS Z-score20.9450.6420.636
Total number of bumps3302020
Unsatisfied H-bond donors/acceptors3212223
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 residues153100
Significantly deteriorated residues01
Changes of all residuesPlot Plot

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