Optimised PDB entry 1q4l



Warnings!

Structure
SpacegroupP 21 21 21
Cell dimensionsa: 84.167 Åb: 86.664 Åc: 178.650 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution2.77 Å

Experimental data
ReflectionsAll: 33498Test set: 1704 (5.1%)
Resolution range20.00 Å2.77 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.21200.21300.19710.1978
R-free0.25100.21660.23180.2348
σR-free 0.00520.00560.0057
Z(R-free) 7.500.840.46

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-1.128-1.100-1.047
2nd generation packing quality1-0.593-0.278-0.383
Ramachandran plot appearance1-2.929-1.607-1.344
Chi-1/Chi-2 rotamer normality1-4.134-2.180-2.307
Backbone conformation1-0.290-0.222-0.232
Bond length RMS Z-score20.3950.4640.483
Bond angle RMS Z-score20.6860.7000.702
Total number of bumps369815
Unsatisfied H-bond donors/acceptors3403434
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 residues50
Significantly deteriorated residues2
Changes of all residuesPlot

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