Optimised PDB entry 4i5b



Structure
SpacegroupC 2 2 21
Cell dimensionsa: 95.811 Åb: 111.381 Åc: 211.544 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution2.12 Å

Experimental data
ReflectionsAll: 58721Test set: 2967 (5.1%)
Resolution range49.28 Å2.12 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.19900.21030.19020.1884
R-free0.23700.24080.22020.2184
σR-free 0.00440.00400.0040
Z(R-free) 4.203.573.47

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality10.4100.3490.371
2nd generation packing quality1-0.628-0.580-0.593
Ramachandran plot appearance10.9621.2541.314
Chi-1/Chi-2 rotamer normality1-1.456-1.645-1.710
Backbone conformation11.0621.0491.055
Bond length RMS Z-score20.3700.7750.762
Bond angle RMS Z-score20.6000.8690.862
Total number of bumps3593437
Unsatisfied H-bond donors/acceptors3272831
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 residues57
Significantly deteriorated residues0
Changes of all residuesPlot

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