Optimised PDB entry 2iam



Structure
SpacegroupC 2 2 2
Cell dimensionsa: 86.391 Åb: 270.542 Åc: 97.396 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution2.80 Å

Experimental data
ReflectionsAll: 26375Test set: 1329 (5.0%)
Resolution range41.91 Å2.80 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.20700.24850.23510.2375
R-free0.27900.31270.28240.2812
σR-free 0.00860.00770.0077
Z(R-free) -2.51-0.91-0.39

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-0.551-0.356-0.341
2nd generation packing quality1-1.552-1.114-1.155
Ramachandran plot appearance1-2.296-1.813-1.864
Chi-1/Chi-2 rotamer normality1-6.714-4.505-4.017
Backbone conformation1-0.0950.2390.231
Bond length RMS Z-score20.8220.4050.410
Bond angle RMS Z-score20.9470.6530.653
Total number of bumps31734148
Unsatisfied H-bond donors/acceptors3566475
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 residues26
Significantly deteriorated residues4
Changes of all residuesPlot

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