PDB entry 3zmi



Structure
SpacegroupH 3 2
Cell dimensionsa: 110.580 Åb: 110.580 Åc: 128.530 Å
α: 90.00°β: 90.00°γ: 120.00°
Resolution2.20 Å

Experimental data
ReflectionsAll: 15409Test set: 777 (5.0%)
Resolution range44.87 Å2.20 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.21650.22270.20140.1975
R-free0.26090.26920.23250.2297
σR-free 0.00970.00830.0082
R-free Z-score 0.011.341.12

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1-1.037-0.997-1.335
2nd generation packing quality1-1.308-1.169-1.023
Ramachandran plot appearance1-1.552-1.188-1.211
Chi-1/Chi-2 rotamer normality1-1.833-1.685-1.890
Backbone conformation1-0.413-0.408-0.659
Bond length RMS Z-score20.3660.5630.735
Bond angle RMS Z-score20.5510.6580.762
Total number of bumps361316
Unsatisfied H-bond donors/acceptors37711
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 residues4418
Significantly deteriorated residues010
Changes of all residuesPlot Plot

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