PDB entry 3zlx



Structure
SpacegroupP 61 2 2
Cell dimensionsa: 76.930 Åb: 76.930 Åc: 221.757 Å
α: 90.00°β: 90.00°γ: 120.00°
Resolution2.20 Å

Experimental data
ReflectionsAll: 20515Test set: 1051 (5.1%)
Resolution range49.49 Å2.20 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.20360.20510.19670.1989
R-free0.23610.24310.23550.2345
σR-free 0.00750.00730.0072
R-free Z-score 1.891.552.08

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1-0.428-0.261-0.312
2nd generation packing quality1-0.772-0.827-0.606
Ramachandran plot appearance1-0.279-0.180-0.201
Chi-1/Chi-2 rotamer normality1-1.629-0.530-0.592
Backbone conformation10.0420.2160.039
Bond length RMS Z-score20.6600.5530.560
Bond angle RMS Z-score20.8870.7190.724
Total number of bumps3112620
Unsatisfied H-bond donors/acceptors312712
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 residues3938
Significantly deteriorated residues22
Changes of all residuesPlot Plot

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