PDB entry 3pgc



Structure
SpacegroupP 31 2 1
Cell dimensionsa: 138.146 Åb: 138.146 Åc: 104.520 Å
α: 90.00°β: 90.00°γ: 120.00°
Resolution2.66 Å

Experimental data
ReflectionsAll: 33394Test set: 1670 (5.0%)
Resolution range34.54 Å2.66 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.19800.20200.19560.1936
R-free0.25000.24950.23010.2331
σR-free 0.00610.00560.0057
Z(R-free) -1.160.82-0.14

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1-0.0200.1380.194
2nd generation packing quality1-1.270-0.887-0.510
Ramachandran plot appearance1-1.755-0.715-0.570
Chi-1/Chi-2 rotamer normality1-3.221-2.038-1.581
Backbone conformation11.0441.1611.160
Bond length RMS Z-score20.3790.4780.481
Bond angle RMS Z-score20.5900.6770.682
Total number of bumps3953833
Unsatisfied H-bond donors/acceptors3433137
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 residues35
Significantly deteriorated residues1
Changes of all residuesPlot

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