Optimised 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 re-refinementAfter re-refinement and rebuilding
R0.18380.20280.20150.1968
R-free0.22360.23740.23490.2328
σR-free 0.01050.01040.0103
Z(R-free) 0.570.660.33

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality10.0270.0750.212
2nd generation packing quality1-0.502-0.5090.381
Ramachandran plot appearance1-0.857-0.293-0.576
Chi-1/Chi-2 rotamer normality1-5.205-3.556-3.063
Backbone conformation1-0.0170.1810.224
Bond length RMS Z-score20.6710.4170.425
Bond angle RMS Z-score20.9660.6350.669
Total number of bumps31474
Unsatisfied H-bond donors/acceptors3191419
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 residues16
Significantly deteriorated residues0
Changes of all residuesPlot

Download

Links