PDB entry 4imw



Structure
SpacegroupP 21 21 21
Cell dimensionsa: 51.685 Åb: 111.393 Åc: 164.177 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution2.20 Å

Experimental data
ReflectionsAll: 52112Test set: 2596 (5.0%)
Resolution range43.74 Å2.15 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.21300.22920.22920.2660
R-free0.27300.28320.28320.2899
σR-free 0.0039NA0.0040
R-free Z-score 2.10NA12.08

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1-1.224-1.225-1.093
2nd generation packing quality1-1.586-1.583-1.520
Ramachandran plot appearance1-1.830-1.833-1.269
Chi-1/Chi-2 rotamer normality1-3.037-3.036-1.928
Backbone conformation1-1.222-1.222-0.856
Bond length RMS Z-score20.6840.6840.464
Bond angle RMS Z-score20.7770.7770.664
Total number of bumps314714887
Unsatisfied H-bond donors/acceptors3727297
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 residues100
Significantly deteriorated residues243616
Changes of all residuesPlot Plot

Download

Links