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
R0.20300.18980.14960.1485
R-free0.24200.18360.17830.1761
σR-free 0.00310.00300.0030
Z(R-free) 14.100.300.60

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-0.330-0.130-0.103
2nd generation packing quality1-0.833-0.470-0.321
Ramachandran plot appearance1-2.422-0.628-0.691
Chi-1/Chi-2 rotamer normality1-3.908-0.715-0.041
Backbone conformation1-0.101-0.111-0.054
Bond length RMS Z-score20.8780.8880.862
Bond angle RMS Z-score21.3400.9390.903
Total number of bumps32494839
Unsatisfied H-bond donors/acceptors3281724
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 residues164
Significantly deteriorated residues0
Changes of all residuesPlot

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