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
R0.20100.19970.18200.1796
R-free0.27200.26680.23470.2286
σR-free 0.00720.00630.0062
Z(R-free) 3.174.635.13

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1-0.435-0.256-0.194
2nd generation packing quality1-2.005-1.852-1.430
Ramachandran plot appearance1-2.447-1.537-1.480
Chi-1/Chi-2 rotamer normality1-3.973-3.606-2.215
Backbone conformation10.6260.7010.574
Bond length RMS Z-score20.4400.4420.415
Bond angle RMS Z-score20.6270.7230.673
Total number of bumps3523033
Unsatisfied H-bond donors/acceptors3474441
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 residues25
Significantly deteriorated residues3
Changes of all residuesPlot

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