Optimised PDB entry 4kji



Warnings!

Structure
SpacegroupP 43 2 2
Cell dimensionsa: 83.649 Åb: 83.649 Åc: 94.239 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution3.20 Å

Experimental data
ReflectionsAll: 5893Test set: 0 (0.0%)
Resolution range29.41 Å3.20 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.22200.23860.23390.2301
R-free0.31700.24400.25170.2627
σR-free 0.00990.01030.0107
Z(R-free) 4.202.751.19

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-1.314-0.419-0.260
2nd generation packing quality1-2.265-0.756-0.738
Ramachandran plot appearance1-4.253-2.113-1.546
Chi-1/Chi-2 rotamer normality1-9.000-6.039-6.316
Backbone conformation10.4722.1541.852
Bond length RMS Z-score20.5900.4050.424
Bond angle RMS Z-score20.9510.7670.810
Total number of bumps31302115
Unsatisfied H-bond donors/acceptors312911
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 residues24
Significantly deteriorated residues0
Changes of all residuesPlot

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