Optimised PDB entry 4imw



Structure
SpacegroupP 21 21 21
Cell dimensionsa: 51.685 Åb: 111.393 Åc: 164.177 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution2.20 Å

Experimental data
ReflectionsAll: 52112Test set: 2596 (5.0%)
Resolution range43.74 Å2.15 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.21300.22850.20320.2043
R-free0.27300.28300.23240.2309
σR-free 0.00560.00460.0045
Z(R-free) 1.345.656.42

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-0.1320.0680.117
2nd generation packing quality1-1.583-1.207-1.201
Ramachandran plot appearance1-2.223-1.313-1.127
Chi-1/Chi-2 rotamer normality1-3.041-1.191-0.671
Backbone conformation11.7772.0932.163
Bond length RMS Z-score20.6840.4000.398
Bond angle RMS Z-score20.7770.6640.648
Total number of bumps31475646
Unsatisfied H-bond donors/acceptors306165
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 residues110
Significantly deteriorated residues16
Changes of all residuesPlot

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