PDB entry 1sje


SpacegroupH 3
Cell dimensionsa: 172.746 Åb: 172.746 Åc: 121.399 Å
α: 90.00°β: 90.00°γ: 120.00°
Resolution2.45 Å

Experimental data
ReflectionsAll: 49701Test set: 4984 (10.0%)
Resolution range19.82 Å2.45 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
σR-free 0.00220.00200.0020
R-free Z-score 12.329.008.20

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1-0.162-0.200-0.147
2nd generation packing quality1-1.300-1.161-1.038
Ramachandran plot appearance1-1.872-0.488-0.455
Chi-1/Chi-2 rotamer normality1-1.713-1.464-1.007
Backbone conformation10.3020.3770.419
Bond length RMS Z-score20.3000.3360.326
Bond angle RMS Z-score20.6230.5980.574
Total number of bumps3852726
Unsatisfied H-bond donors/acceptors3252516
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 residues138111
Significantly deteriorated residues00
Changes of all residuesPlot Plot