PDB entry 4i4h



Structure
SpacegroupI 2 2 2
Cell dimensionsa: 77.760 Åb: 100.060 Åc: 131.400 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution2.90 Å

Experimental data
ReflectionsAll: 11327Test set: 534 (4.7%)
Resolution range65.70 Å2.90 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.19500.20420.20420.2291
R-free0.26900.27030.27030.3112
σR-free 0.0083NA0.0095
R-free Z-score -3.05NA-3.82

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1-1.021-1.020-0.936
2nd generation packing quality1-1.775-1.774-1.544
Ramachandran plot appearance1-4.434-4.438-4.266
Chi-1/Chi-2 rotamer normality1-4.817-4.817-3.894
Backbone conformation1-0.687-0.687-0.709
Bond length RMS Z-score20.5460.5450.523
Bond angle RMS Z-score20.6910.6910.709
Total number of bumps3103103130
Unsatisfied H-bond donors/acceptors3404043
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 residues72
Significantly deteriorated residues299
Changes of all residuesPlot Plot

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