PDB entry 2zjc



Structure
SpacegroupH 3
Cell dimensionsa: 135.873 Åb: 135.873 Åc: 58.023 Å
α: 90.00°β: 90.00°γ: 120.00°
Resolution2.50 Å

Experimental data
ReflectionsAll: 13445Test set: 1375 (10.2%)
Resolution range41.31 Å2.50 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.20100.20580.20120.1826
R-free0.27200.26750.24220.2296
σR-free 0.00510.00460.0044
R-free Z-score 6.0610.768.00

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1-0.435-0.211-0.138
2nd generation packing quality1-2.099-1.976-1.580
Ramachandran plot appearance1-2.141-1.233-1.164
Chi-1/Chi-2 rotamer normality1-3.853-2.825-2.187
Backbone conformation1-0.2170.039-0.104
Bond length RMS Z-score20.4400.3090.335
Bond angle RMS Z-score20.6270.5690.621
Total number of bumps3522929
Unsatisfied H-bond donors/acceptors3484850
Full WHAT_CHECK reportsLink LinkLink

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

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