PDB entry 3vt6



Warnings!

Structure
SpacegroupC 1 2 1
Cell dimensionsa: 153.734 Åb: 42.724 Åc: 42.271 Å
α: 90.00°β: 95.55°γ: 90.00°
Resolution2.30 Å

Experimental data
ReflectionsAll: 11276Test set: 1158 (10.3%)
Resolution range41.15 Å2.29 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.21000.21200.19240.1923
R-free0.24500.24330.22930.2352
σR-free 0.00710.00670.0069
R-free Z-score 7.215.674.62

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality10.2130.4000.361
2nd generation packing quality1-0.558-0.283-0.245
Ramachandran plot appearance1-1.063-0.288-0.450
Chi-1/Chi-2 rotamer normality1-0.461-1.589-1.376
Backbone conformation10.4780.5190.649
Bond length RMS Z-score20.2060.3580.371
Bond angle RMS Z-score20.4380.5950.603
Total number of bumps3222114
Unsatisfied H-bond donors/acceptors39129
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 residues3911
Significantly deteriorated residues00
Changes of all residuesPlot Plot

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