PDB entry 1qdl



Structure
SpacegroupP 63 2 2
Cell dimensionsa: 162.000 Åb: 162.000 Åc: 212.350 Å
α: 90.00°β: 90.00°γ: 120.00°
Resolution2.50 Å

Experimental data
ReflectionsAll: 57117Test set: 2887 (5.1%)
Resolution range29.65 Å2.50 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.22600.22460.19550.1932
R-free0.25400.24540.21370.2116
σR-free 0.00460.00400.0039
R-free Z-score 5.045.035.00

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality10.3530.4000.429
2nd generation packing quality1-0.506-0.339-0.256
Ramachandran plot appearance1-2.494-1.060-0.935
Chi-1/Chi-2 rotamer normality1-4.836-1.845-1.367
Backbone conformation1-0.639-0.709-0.599
Bond length RMS Z-score20.3620.4010.394
Bond angle RMS Z-score20.6620.6600.638
Total number of bumps3803630
Unsatisfied H-bond donors/acceptors3413739
Full WHAT_CHECK reportsLink LinkLink

1 Higher is better
2 Should be lower than 1.000
3 Fewer is better

Electron density map validation
Real-space correlation coefficientReal-space R-factor
Significantly improved residues225126
Significantly deteriorated residues02
Changes of all residuesPlot Plot

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