PDB entry 4bnt



Structure
SpacegroupP 21 21 21
Cell dimensionsa: 54.180 Åb: 109.152 Åc: 145.194 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution2.30 Å

Experimental data
ReflectionsAll: 38827Test set: 1947 (5.0%)
Resolution range29.08 Å2.30 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.19140.19870.20250.2028
R-free0.23620.24620.24270.2431
σR-free 0.00560.00550.0055
R-free Z-score 4.366.026.02

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality10.5620.6410.682
2nd generation packing quality10.8901.0400.975
Ramachandran plot appearance10.1820.4000.428
Chi-1/Chi-2 rotamer normality1-1.638-1.391-0.988
Backbone conformation11.0721.1051.117
Bond length RMS Z-score20.6670.3640.352
Bond angle RMS Z-score20.7680.6150.582
Total number of bumps3454551
Unsatisfied H-bond donors/acceptors3424237
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 residues00
Significantly deteriorated residues7021011
Changes of all residuesPlot Plot

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