Optimised 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 re-refinementAfter re-refinement and rebuilding
R0.16900.19420.16690.1664
R-free0.21850.23110.20140.2035
σR-free 0.00710.00620.0062
Z(R-free) 1.380.900.47

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-0.315-0.387-0.356
2nd generation packing quality1-1.189-1.206-1.188
Ramachandran plot appearance1-0.674-0.255-0.198
Chi-1/Chi-2 rotamer normality1-2.304-1.352-1.225
Backbone conformation1-1.041-0.965-0.916
Bond length RMS Z-score20.8990.4670.461
Bond angle RMS Z-score20.9450.6930.690
Total number of bumps3251213
Unsatisfied H-bond donors/acceptors3211724
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 residues142
Significantly deteriorated residues0
Changes of all residuesPlot

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