PDB entry 2toh



Structure
SpacegroupF 2 2 2
Cell dimensionsa: 189.464 Åb: 148.595 Åc: 56.986 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution2.30 Å

Experimental data
ReflectionsAll: 17447Test set: 1200 (6.9%)
Resolution range39.94 Å2.29 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.20700.21410.19580.2052
R-free0.27600.28630.25310.2575
σR-free 0.00580.00520.0053
R-free Z-score 0.021.713.21

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1-0.771-0.463-0.400
2nd generation packing quality1-2.025-1.688-1.308
Ramachandran plot appearance1-2.173-0.908-0.507
Chi-1/Chi-2 rotamer normality1-3.496-2.707-0.987
Backbone conformation10.1510.3190.134
Bond length RMS Z-score20.8290.4300.345
Bond angle RMS Z-score21.0300.6950.625
Total number of bumps3683625
Unsatisfied H-bond donors/acceptors3302430
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 residues298
Significantly deteriorated residues47
Changes of all residuesPlot Plot

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