PDB entry 2fse


SpacegroupP 21 21 21
Cell dimensionsa: 60.810 Åb: 109.000 Åc: 170.550 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution3.10 Å

Experimental data
ReflectionsAll: 20446Test set: 2087 (10.2%)
Resolution range29.75 Å3.10 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
σR-free 0.00570.00580.0057
R-free Z-score 8.65-1.38-1.07

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1-0.721-0.210-0.170
2nd generation packing quality1-1.696-0.873-0.766
Ramachandran plot appearance1-4.822-2.438-2.263
Chi-1/Chi-2 rotamer normality1-4.083-3.802-2.194
Backbone conformation10.2420.7010.595
Bond length RMS Z-score20.3960.5450.441
Bond angle RMS Z-score20.8060.7810.693
Total number of bumps32557773
Unsatisfied H-bond donors/acceptors3826763
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 residues619
Significantly deteriorated residues00
Changes of all residuesPlot Plot