PDB entry 2zpx



Structure
SpacegroupP 21 21 21
Cell dimensionsa: 49.586 Åb: 111.331 Åc: 75.382 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution2.83 Å

Experimental data
ReflectionsAll: 9762Test set: 1009 (10.3%)
Resolution range55.67 Å2.83 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.26800.27290.28230.2804
R-free0.30900.31410.30900.3119
σR-free 0.00700.00690.0069
R-free Z-score 1.914.323.57

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1-0.581-0.494-0.620
2nd generation packing quality1-1.750-1.679-1.728
Ramachandran plot appearance1-3.722-3.274-3.137
Chi-1/Chi-2 rotamer normality1-3.150-2.049-2.905
Backbone conformation10.2770.3310.329
Bond length RMS Z-score20.5340.3180.361
Bond angle RMS Z-score20.7910.5800.681
Total number of bumps31242647
Unsatisfied H-bond donors/acceptors3564754
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 residues300
Significantly deteriorated residues1314
Changes of all residuesPlot Plot

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