PDB entry 3zlw



Structure
SpacegroupP 61 2 2
Cell dimensionsa: 77.059 Åb: 77.059 Åc: 221.800 Å
α: 90.00°β: 90.00°γ: 120.00°
Resolution2.12 Å

Experimental data
ReflectionsAll: 23011Test set: 1183 (5.1%)
Resolution range23.12 Å2.12 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.19560.20670.20870.2069
R-free0.24810.25310.25150.2619
σR-free 0.00740.00730.0076
R-free Z-score 0.380.95-0.75

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1-0.275-0.097-0.145
2nd generation packing quality1-0.628-0.544-0.545
Ramachandran plot appearance10.0160.5780.345
Chi-1/Chi-2 rotamer normality1-0.5350.2340.196
Backbone conformation10.1700.029-0.097
Bond length RMS Z-score20.6760.3370.341
Bond angle RMS Z-score20.9130.5690.570
Total number of bumps3152022
Unsatisfied H-bond donors/acceptors361012
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 residues1116
Significantly deteriorated residues86
Changes of all residuesPlot Plot

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