PDB entry 3lex



Structure
SpacegroupP 1
Cell dimensionsa: 34.543 Åb: 70.962 Åc: 78.265 Å
α: 90.08°β: 90.02°γ: 90.29°
Resolution1.97 Å

Experimental data
ReflectionsAll: 49484Test set: 1992 (4.0%)
Resolution range25.90 Å1.97 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.16500.17020.14700.1494
R-free0.19800.20880.19180.1931
σR-free 0.00330.00300.0031
R-free Z-score 3.58-0.400.19

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality10.4570.4240.469
2nd generation packing quality1-0.579-0.427-0.263
Ramachandran plot appearance10.0430.2900.434
Chi-1/Chi-2 rotamer normality1-2.011-2.013-1.763
Backbone conformation10.8740.7920.819
Bond length RMS Z-score20.3600.5190.550
Bond angle RMS Z-score20.4590.6700.691
Total number of bumps31289078
Unsatisfied H-bond donors/acceptors3392838
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 residues838709
Significantly deteriorated residues00
Changes of all residuesPlot Plot

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