Optimised PDB entry 3kfj



Warnings!

Structure
SpacegroupP 43 21 2
Cell dimensionsa: 41.873 Åb: 41.873 Åc: 108.811 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution2.02 Å

Experimental data
ReflectionsAll: 6723Test set: 0 (0.0%)
Resolution range33.18 Å2.03 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.19800.19630.15750.1557
R-free0.23000.20400.21330.2091
σR-free 0.00800.00840.0082
Z(R-free) 6.49-0.95-0.74

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-0.928-0.788-0.757
2nd generation packing quality1-1.194-1.112-0.945
Ramachandran plot appearance1-1.1850.5850.408
Chi-1/Chi-2 rotamer normality1-0.2281.0951.370
Backbone conformation10.2450.2310.172
Bond length RMS Z-score20.5360.4050.395
Bond angle RMS Z-score20.7820.7240.697
Total number of bumps3705
Unsatisfied H-bond donors/acceptors3898
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

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