PDB entry 3vt5



Structure
SpacegroupC 1 2 1
Cell dimensionsa: 153.174 Åb: 42.565 Åc: 42.184 Å
α: 90.00°β: 96.10°γ: 90.00°
Resolution2.11 Å

Experimental data
ReflectionsAll: 14420Test set: 1453 (10.1%)
Resolution range40.99 Å2.11 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.22400.21500.18750.1877
R-free0.26600.25840.23310.2320
σR-free 0.00680.00610.0061
R-free Z-score 3.181.822.05

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality10.4810.6290.620
2nd generation packing quality1-0.1090.0470.116
Ramachandran plot appearance1-0.3300.7630.713
Chi-1/Chi-2 rotamer normality1-0.692-0.893-0.869
Backbone conformation10.4030.4400.528
Bond length RMS Z-score20.2350.3400.384
Bond angle RMS Z-score20.4720.5770.585
Total number of bumps320810
Unsatisfied H-bond donors/acceptors310118
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 residues7723
Significantly deteriorated residues01
Changes of all residuesPlot Plot

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