Optimised PDB entry 1cj1



Structure
SpacegroupP 21 21 21
Cell dimensionsa: 73.800 Åb: 93.300 Åc: 232.800 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution3.00 Å

Experimental data
ReflectionsAll: 29753Test set: 1437 (4.8%)
Resolution range29.83 Å3.00 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.30500.26000.24420.2412
R-free0.31700.27060.25630.2539
σR-free 0.00710.00680.0067
Z(R-free) 5.835.405.30

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-0.610-0.170-0.179
2nd generation packing quality1-0.1020.6840.730
Ramachandran plot appearance1-2.163-2.112-2.083
Chi-1/Chi-2 rotamer normality1-6.030-1.101-1.356
Backbone conformation1-0.256-0.218-0.325
Bond length RMS Z-score21.1890.4310.499
Bond angle RMS Z-score21.3170.7440.835
Total number of bumps33584378
Unsatisfied H-bond donors/acceptors3163160141
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 residues17
Significantly deteriorated residues3
Changes of all residuesPlot

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