PDB entry 3v7a



Structure
SpacegroupP 43 2 2
Cell dimensionsa: 145.480 Åb: 145.480 Åc: 216.334 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution3.30 Å

Experimental data
ReflectionsAll: 30923Test set: 1536 (5.0%)
Resolution range31.54 Å3.30 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.22700.23500.25420.2537
R-free0.28300.28710.28630.2865
σR-free 0.00730.00730.0073
Z(R-free) -0.702.562.45

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1-1.191-0.959-0.979
2nd generation packing quality1-1.028-0.750-0.750
Ramachandran plot appearance1-2.948-2.329-2.418
Chi-1/Chi-2 rotamer normality1-3.483-2.607-2.685
Backbone conformation10.5020.6300.475
Bond length RMS Z-score20.2130.2830.287
Bond angle RMS Z-score20.4330.5010.512
Total number of bumps31839795
Unsatisfied H-bond donors/acceptors3159120121
LinkLinkLink

1 Higher is better, 2 Should be lower than 1.000, 3 Fewer is better


Density map fit (real-space correlation coefficient)
Significantly improved residues9
Significantly deteriorated residues30
Changes of all residuesPlot

Download

Links