PDB entry 3zln



Structure
SpacegroupP 41 21 2
Cell dimensionsa: 65.911 Åb: 65.911 Åc: 115.072 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution2.29 Å

Experimental data
ReflectionsAll: 11660Test set: 551 (4.7%)
Resolution range31.68 Å2.29 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.18350.19960.19630.1971
R-free0.24650.25730.23670.2312
σR-free 0.00780.00710.0070
R-free Z-score -1.151.062.00

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1-0.177-0.211-0.141
2nd generation packing quality1-0.195-0.1550.228
Ramachandran plot appearance1-0.164-0.777-0.688
Chi-1/Chi-2 rotamer normality1-0.990-0.322-0.167
Backbone conformation1-0.173-0.412-0.593
Bond length RMS Z-score20.3170.4840.484
Bond angle RMS Z-score20.5320.6800.687
Total number of bumps3131010
Unsatisfied H-bond donors/acceptors3486
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 residues19
Significantly deteriorated residues01
Changes of all residuesPlot Plot

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