PDB entry 4k99



Structure
SpacegroupI 2 2 2
Cell dimensionsa: 85.124 Åb: 97.613 Åc: 131.372 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution1.95 Å

Experimental data
ReflectionsAll: 47481Test set: 2000 (4.2%)
Resolution range39.18 Å1.84 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.17600.17650.17650.2069
R-free0.21200.20990.20990.2312
σR-free 0.0033NA0.0037
R-free Z-score -0.18NA3.84

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality10.5560.5780.699
2nd generation packing quality1-1.155-1.154-0.887
Ramachandran plot appearance1-0.208-0.145-0.318
Chi-1/Chi-2 rotamer normality1-0.896-0.927-0.303
Backbone conformation1-0.225-0.157-0.153
Bond length RMS Z-score20.4660.4680.427
Bond angle RMS Z-score20.7820.7810.683
Total number of bumps3828266
Unsatisfied H-bond donors/acceptors3111218
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 residues616
Significantly deteriorated residues72114
Changes of all residuesPlot Plot

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