PDB entry 4iva



Structure
SpacegroupP 1 21 1
Cell dimensionsa: 44.254 Åb: 69.303 Åc: 50.091 Å
α: 90.00°β: 101.02°γ: 90.00°
Resolution1.50 Å

Experimental data
ReflectionsAll: 45968Test set: 1850 (4.0%)
Resolution range24.58 Å1.50 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.17500.17200.16760.1651
R-free0.19300.19070.18410.1884
σR-free 0.00440.00430.0044
R-free Z-score 1.682.070.41

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1-0.527-0.622-0.496
2nd generation packing quality1-0.596-0.746-0.405
Ramachandran plot appearance1-0.653-0.687-0.573
Chi-1/Chi-2 rotamer normality1-0.027-0.507-0.468
Backbone conformation1-0.575-0.718-0.699
Bond length RMS Z-score20.4460.7360.722
Bond angle RMS Z-score20.6460.9240.905
Total number of bumps3273017
Unsatisfied H-bond donors/acceptors311910
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 residues3229
Significantly deteriorated residues213
Changes of all residuesPlot Plot

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