Optimised PDB entry 1kfv



Warnings!

Structure
SpacegroupP 1 21 1
Cell dimensionsa: 69.880 Åb: 62.030 Åc: 80.970 Å
α: 90.00°β: 104.70°γ: 90.00°
Resolution2.55 Å

Experimental data
ReflectionsAll: 21888Test set: 2170 (9.9%)
Resolution range24.56 Å2.55 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.25100.24990.23200.2421
R-free0.28500.28300.26440.2726
σR-free 0.00610.00570.0059
Z(R-free) 1.751.462.02

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-0.528-0.400-0.454
2nd generation packing quality1-1.291-1.019-0.731
Ramachandran plot appearance1-3.135-1.571-1.210
Chi-1/Chi-2 rotamer normality1-2.224-1.991-1.358
Backbone conformation1-0.4330.001-0.014
Bond length RMS Z-score20.3900.4860.418
Bond angle RMS Z-score20.6960.7880.711
Total number of bumps31898665
Unsatisfied H-bond donors/acceptors3432734
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 residues23
Significantly deteriorated residues0
Changes of all residuesPlot

Download

Links