PDB entry 3ugo



Structure
SpacegroupP 4 2 2
Cell dimensionsa: 86.134 Åb: 86.134 Åc: 111.728 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution2.10 Å

Experimental data
ReflectionsAll: 25314Test set: 1318 (5.2%)
Resolution range24.48 Å2.10 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.19600.19670.18950.1938
R-free0.23700.23770.21940.2264
σR-free 0.00650.00600.0062
Z(R-free) -0.880.680.35

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality10.8650.8630.864
2nd generation packing quality11.0350.9901.171
Ramachandran plot appearance11.1051.9251.854
Chi-1/Chi-2 rotamer normality1-0.924-0.032-0.123
Backbone conformation11.5041.5191.592
Bond length RMS Z-score20.5590.5900.591
Bond angle RMS Z-score21.0380.7960.802
Total number of bumps3262712
Unsatisfied H-bond donors/acceptors3415
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 residues45
Significantly deteriorated residues1
Changes of all residuesPlot

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