Optimised PDB entry 1gim



Warnings!

Structure
SpacegroupP 32 2 1
Cell dimensionsa: 80.820 Åb: 80.820 Åc: 159.030 Å
α: 90.00°β: 90.00°γ: 120.00°
Resolution2.50 Å

Experimental data
ReflectionsAll: 27463Test set: 0 (0.0%)
Resolution range13.77 Å2.20 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.20600.25390.20520.2117
R-free0.27300.24740.26850.2681
σR-free 0.00720.00790.0078
Z(R-free) 11.810.011.15

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-0.661-0.484-0.352
2nd generation packing quality1-1.695-1.310-1.087
Ramachandran plot appearance1-3.390-1.876-1.529
Chi-1/Chi-2 rotamer normality1-3.617-2.952-2.222
Backbone conformation1-0.004-0.0570.335
Bond length RMS Z-score20.5020.5680.487
Bond angle RMS Z-score20.7690.7950.715
Total number of bumps3993638
Unsatisfied H-bond donors/acceptors3383231
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 residues2
Significantly deteriorated residues0
Changes of all residuesPlot

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