PDB entry 4g0v



Structure
SpacegroupP 1 21 1
Cell dimensionsa: 80.546 Åb: 176.610 Åc: 93.759 Å
α: 90.00°β: 111.53°γ: 90.00°
Resolution2.55 Å

Experimental data
ReflectionsAll: 78798Test set: 3957 (5.0%)
Resolution range27.94 Å2.55 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.16100.17140.17130.1749
R-free0.20600.20950.19410.2008
σR-free 0.00330.00310.0032
R-free Z-score 4.559.748.84

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality10.0090.1380.083
2nd generation packing quality10.0440.2320.264
Ramachandran plot appearance1-0.922-0.019-0.149
Chi-1/Chi-2 rotamer normality1-1.638-0.484-0.288
Backbone conformation10.2920.3310.318
Bond length RMS Z-score20.4110.3160.319
Bond angle RMS Z-score20.7010.5910.586
Total number of bumps3181122108
Unsatisfied H-bond donors/acceptors3625559
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 residues1322
Significantly deteriorated residues3367
Changes of all residuesPlot Plot

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