Optimised PDB entry 1afw



Warnings!

Structure
SpacegroupP 21 21 21
Cell dimensionsa: 71.170 Åb: 92.650 Åc: 116.720 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution1.80 Å

Experimental data
ReflectionsAll: 71365Test set: 0 (0.0%)
Resolution range9.96 Å1.80 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.20300.18950.15950.1571
R-free0.24200.18790.17940.1767
σR-free 0.00310.00300.0030
Z(R-free) 12.613.903.83

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-0.330-0.092-0.077
2nd generation packing quality1-1.154-0.606-0.454
Ramachandran plot appearance1-3.266-0.977-0.897
Chi-1/Chi-2 rotamer normality1-5.683-1.480-0.723
Backbone conformation1-0.658-0.458-0.452
Bond length RMS Z-score20.8780.5560.542
Bond angle RMS Z-score21.3400.7370.722
Total number of bumps31861719
Unsatisfied H-bond donors/acceptors3442331
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 residues64
Significantly deteriorated residues6
Changes of all residuesPlot

Download

Links