PDB entry 2c7v



Structure
SpacegroupP 1 21 1
Cell dimensionsa: 74.655 Åb: 90.244 Åc: 82.841 Å
α: 90.00°β: 115.76°γ: 90.00°
Resolution2.20 Å

Experimental data
ReflectionsAll: 49904Test set: 2534 (5.1%)
Resolution range28.76 Å2.20 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.15300.15510.13800.1401
R-free0.22300.21360.19260.1906
σR-free 0.00420.00380.0038
R-free Z-score -0.74-1.39-0.13

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1-0.383-0.355-0.313
2nd generation packing quality1-0.644-0.607-0.379
Ramachandran plot appearance1-0.783-0.0320.116
Chi-1/Chi-2 rotamer normality1-2.277-2.031-1.543
Backbone conformation1-0.115-0.232-0.191
Bond length RMS Z-score20.4870.8200.798
Bond angle RMS Z-score20.6590.9710.889
Total number of bumps3119145105
Unsatisfied H-bond donors/acceptors3679993
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 residues117132
Significantly deteriorated residues02
Changes of all residuesPlot Plot

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