PDB entry 4kcf



Structure
SpacegroupI 2 2 2
Cell dimensionsa: 70.828 Åb: 81.297 Åc: 152.628 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution2.10 Å

Experimental data
ReflectionsAll: 23596Test set: 1193 (5.1%)
Resolution range27.37 Å2.10 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.17500.17580.16260.1606
R-free0.22500.22340.18860.1884
σR-free 0.00650.00550.0055
R-free Z-score 0.083.362.95

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1-0.118-0.0350.048
2nd generation packing quality1-0.606-0.422-0.413
Ramachandran plot appearance1-0.9530.3230.301
Chi-1/Chi-2 rotamer normality1-2.480-1.187-0.825
Backbone conformation1-0.0340.0750.037
Bond length RMS Z-score20.5430.3160.312
Bond angle RMS Z-score21.0870.5770.568
Total number of bumps3301716
Unsatisfied H-bond donors/acceptors391010
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 residues125
Significantly deteriorated residues59
Changes of all residuesPlot Plot

Download

Links