Optimised PDB entry 2gb0



Structure
SpacegroupP 1 21 1
Cell dimensionsa: 72.562 Åb: 69.555 Åc: 74.117 Å
α: 90.00°β: 94.26°γ: 90.00°
Resolution1.85 Å

Experimental data
ReflectionsAll: 58044Test set: 5908 (10.2%)
Resolution range42.53 Å1.85 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.16500.16040.14370.1449
R-free0.19800.18700.17230.1732
σR-free 0.00240.00220.0023
Z(R-free) 6.123.823.91

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-0.402-0.408-0.378
2nd generation packing quality1-1.497-1.435-1.380
Ramachandran plot appearance1-0.775-0.361-0.345
Chi-1/Chi-2 rotamer normality1-1.775-1.000-0.430
Backbone conformation1-0.167-0.058-0.064
Bond length RMS Z-score20.4720.5980.592
Bond angle RMS Z-score20.8030.8070.796
Total number of bumps3542521
Unsatisfied H-bond donors/acceptors3585358
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 residues101
Significantly deteriorated residues1
Changes of all residuesPlot

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