PDB entry 4m5o



Structure
SpacegroupC 2 2 21
Cell dimensionsa: 88.834 Åb: 101.293 Åc: 66.154 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution2.00 Å

Experimental data
ReflectionsAll: 23499Test set: 1175 (5.0%)
Resolution range29.81 Å1.90 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.18200.19110.19110.2189
R-free0.21800.22560.22560.2474
σR-free 0.0066NA0.0072
R-free Z-score 0.05NA1.57

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality10.7700.7690.740
2nd generation packing quality1-0.296-0.296-0.291
Ramachandran plot appearance11.2451.2450.658
Chi-1/Chi-2 rotamer normality10.5150.5150.272
Backbone conformation10.3440.3450.208
Bond length RMS Z-score20.3330.3330.378
Bond angle RMS Z-score20.5960.5960.623
Total number of bumps3212124
Unsatisfied H-bond donors/acceptors39910
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 residues312
Significantly deteriorated residues3426
Changes of all residuesPlot Plot

Download

Links