PDB entry 1jo8



Structure
SpacegroupP 21 21 21
Cell dimensionsa: 24.080 Åb: 38.155 Åc: 59.090 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution1.30 Å

Experimental data
ReflectionsAll: 13707Test set: 680 (5.0%)
Resolution range17.50 Å1.30 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.14400.14570.11900.1236
R-free0.17800.18100.15540.1583
σR-free 0.00690.00600.0061
Z(R-free) 3.642.152.72

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1-0.107-0.153-0.205
2nd generation packing quality1-1.330-1.219-1.188
Ramachandran plot appearance10.0300.1320.173
Chi-1/Chi-2 rotamer normality11.2971.2081.134
Backbone conformation10.2050.3110.144
Bond length RMS Z-score20.4860.6470.627
Bond angle RMS Z-score20.7950.8120.815
Total number of bumps3274
Unsatisfied H-bond donors/acceptors3333
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 residues39
Significantly deteriorated residues1
Changes of all residuesPlot

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