PDB entry 3q6r


SpacegroupP 1 21 1
Cell dimensionsa: 65.280 Åb: 79.024 Åc: 69.703 Å
α: 90.00°β: 99.87°γ: 90.00°
Resolution1.40 Å

Experimental data
ReflectionsAll: 136322Test set: 6920 (5.1%)
Resolution range26.68 Å1.40 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
σR-free 0.00150.00130.0014
R-free Z-score 30.1311.2313.07

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1-1.119-1.102-1.116
2nd generation packing quality1-1.663-1.672-1.424
Ramachandran plot appearance1-0.103-0.009-0.023
Chi-1/Chi-2 rotamer normality10.5280.5250.491
Backbone conformation11.1191.1491.154
Bond length RMS Z-score20.2830.5380.559
Bond angle RMS Z-score20.5320.7150.713
Total number of bumps3474737
Unsatisfied H-bond donors/acceptors3332729
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 residues360372
Significantly deteriorated residues29
Changes of all residuesPlot Plot