PDB entry 3cmm



Warnings!

Structure
SpacegroupP 21 21 21
Cell dimensionsa: 115.363 Åb: 118.564 Åc: 207.567 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution2.70 Å

Experimental data
ReflectionsAll: 77601Test set: 3908 (5.0%)
Resolution range47.54 Å2.70 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.19100.19880.19530.1897
R-free0.24700.19430.22500.2217
σR-free 0.00220.00250.0025
R-free Z-score 20.143.762.36

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1-0.453-0.308-0.265
2nd generation packing quality1-0.910-0.692-0.640
Ramachandran plot appearance1-1.635-0.711-0.538
Chi-1/Chi-2 rotamer normality1-3.362-1.770-0.704
Backbone conformation10.3230.3990.370
Bond length RMS Z-score20.5010.3780.366
Bond angle RMS Z-score20.6680.6340.611
Total number of bumps319913099
Unsatisfied H-bond donors/acceptors3168151138
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 residues3543
Significantly deteriorated residues72
Changes of all residuesPlot Plot

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