PDB entry 4bi0



Structure
SpacegroupI 2 2 2
Cell dimensionsa: 71.230 Åb: 111.970 Åc: 113.780 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution2.84 Å

Experimental data
ReflectionsAll: 11064Test set: 514 (4.6%)
Resolution range55.99 Å2.84 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.18380.20380.19210.1910
R-free0.22360.23770.23380.2264
σR-free 0.01050.01030.0100
R-free Z-score 0.66-0.320.28

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality10.027-0.0300.132
2nd generation packing quality1-0.787-0.849-0.130
Ramachandran plot appearance1-0.742-1.067-0.812
Chi-1/Chi-2 rotamer normality1-3.606-2.564-1.734
Backbone conformation10.5900.4390.759
Bond length RMS Z-score20.6710.3880.381
Bond angle RMS Z-score20.9660.6030.607
Total number of bumps3142520
Unsatisfied H-bond donors/acceptors3181420
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 residues3515
Significantly deteriorated residues12
Changes of all residuesPlot Plot

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