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 conservative optimisationAfter full optimisation
R0.20700.24930.23950.2397
R-free0.27900.31320.27960.2798
σR-free 0.00860.00770.0077
Z(R-free) -2.450.130.13

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1-0.448-0.253-0.213
2nd generation packing quality1-1.583-1.187-1.236
Ramachandran plot appearance1-2.234-1.635-1.544
Chi-1/Chi-2 rotamer normality1-4.666-2.720-1.867
Backbone conformation1-0.1240.5560.541
Bond length RMS Z-score20.8220.2680.268
Bond angle RMS Z-score20.9470.5130.508
Total number of bumps31795452
Unsatisfied H-bond donors/acceptors3626473
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 residues15
Significantly deteriorated residues2
Changes of all residuesPlot

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