PDB entry 2ig7



Structure
SpacegroupP 21 21 21
Cell dimensionsa: 52.657 Åb: 109.208 Åc: 157.952 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution1.80 Å

Experimental data
ReflectionsAll: 83039Test set: 2110 (2.5%)
Resolution range29.94 Å1.80 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.19200.19170.18080.1775
R-free0.22700.22410.20030.2013
σR-free 0.00340.00310.0031
R-free Z-score -0.123.451.87

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1-0.794-0.628-0.128
2nd generation packing quality1-1.018-0.806-0.538
Ramachandran plot appearance10.1050.8250.684
Chi-1/Chi-2 rotamer normality1-0.3600.2100.044
Backbone conformation10.3490.5160.536
Bond length RMS Z-score20.7470.3740.450
Bond angle RMS Z-score20.7490.6040.667
Total number of bumps3363029
Unsatisfied H-bond donors/acceptors3332125
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 residues7844
Significantly deteriorated residues620
Changes of all residuesPlot Plot

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