PDB entry 2btp



Structure
SpacegroupP 1 21 1
Cell dimensionsa: 61.307 Åb: 85.964 Åc: 64.666 Å
α: 90.00°β: 112.67°γ: 90.00°
Resolution2.80 Å

Experimental data
ReflectionsAll: 14728Test set: 1121 (7.6%)
Resolution range34.88 Å2.80 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.20600.23590.22510.2239
R-free0.25900.28510.25580.2674
σR-free 0.00850.00760.0080
R-free Z-score -0.241.880.16

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality10.7800.9171.437
2nd generation packing quality10.2160.6871.210
Ramachandran plot appearance1-1.6580.7390.903
Chi-1/Chi-2 rotamer normality1-1.819-0.546-0.455
Backbone conformation10.6160.5910.740
Bond length RMS Z-score20.6540.2460.265
Bond angle RMS Z-score20.7160.4180.478
Total number of bumps3331723
Unsatisfied H-bond donors/acceptors3212124
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 residues2727
Significantly deteriorated residues00
Changes of all residuesPlot Plot

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