PDB entry 2adj



Structure
SpacegroupP 43 21 2
Cell dimensionsa: 97.224 Åb: 97.224 Åc: 110.976 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution2.90 Å

Experimental data
ReflectionsAll: 11512Test set: 561 (4.9%)
Resolution range9.98 Å2.85 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.21300.22190.20210.2034
R-free0.30000.29630.26600.2696
σR-free 0.01250.01120.0114
R-free Z-score -2.40-2.10-2.24

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1-0.476-0.354-0.415
2nd generation packing quality1-0.473-0.282-0.235
Ramachandran plot appearance1-3.651-2.758-2.431
Chi-1/Chi-2 rotamer normality1-4.224-3.375-3.439
Backbone conformation10.2560.3060.051
Bond length RMS Z-score20.3550.3170.329
Bond angle RMS Z-score20.6830.5300.553
Total number of bumps31093231
Unsatisfied H-bond donors/acceptors3474137
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 residues84
Significantly deteriorated residues01
Changes of all residuesPlot Plot

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