PDB entry 2ipk



Structure
SpacegroupH 3
Cell dimensionsa: 171.980 Åb: 171.980 Åc: 121.129 Å
α: 90.00°β: 90.00°γ: 120.00°
Resolution2.30 Å

Experimental data
ReflectionsAll: 67968Test set: 3438 (5.1%)
Resolution range32.50 Å2.19 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.20300.20670.16910.1723
R-free0.22400.22450.18950.1944
σR-free 0.00270.00230.0023
R-free Z-score 7.564.744.26

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1-0.0500.1000.061
2nd generation packing quality1-1.358-1.265-1.016
Ramachandran plot appearance1-0.7520.2060.156
Chi-1/Chi-2 rotamer normality1-0.747-0.656-0.620
Backbone conformation1-0.365-0.389-0.419
Bond length RMS Z-score20.3150.3800.471
Bond angle RMS Z-score20.6450.6290.699
Total number of bumps3866766
Unsatisfied H-bond donors/acceptors3271922
Full WHAT_CHECK reportsLink LinkLink

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

Download

Links