PDB entry 2az5



Structure
SpacegroupH 3
Cell dimensionsa: 165.254 Åb: 165.254 Åc: 63.728 Å
α: 90.00°β: 90.00°γ: 120.00°
Resolution2.10 Å

Experimental data
ReflectionsAll: 50716Test set: 2573 (5.1%)
Resolution range27.45 Å1.90 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.22000.21650.19560.1917
R-free0.27800.27500.22940.2245
σR-free 0.00630.00520.0051
R-free Z-score -0.792.812.86

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality10.0760.1400.028
2nd generation packing quality1-0.872-0.955-0.572
Ramachandran plot appearance1-1.847-1.280-1.199
Chi-1/Chi-2 rotamer normality1-2.035-2.412-1.809
Backbone conformation11.8771.8661.928
Bond length RMS Z-score20.4860.7950.818
Bond angle RMS Z-score20.6560.9500.968
Total number of bumps3607361
Unsatisfied H-bond donors/acceptors3293531
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 residues595356
Significantly deteriorated residues00
Changes of all residuesPlot Plot

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