PDB entry 1a02



Structure
SpacegroupP 1 21 1
Cell dimensionsa: 64.660 Åb: 85.460 Åc: 83.370 Å
α: 90.00°β: 112.03°γ: 90.00°
Resolution2.70 Å

Experimental data
ReflectionsAll: 22079Test set: 1671 (7.6%)
Resolution range19.49 Å2.69 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.24600.25240.23050.2290
R-free0.30300.30600.27960.2747
σR-free 0.00750.00680.0067
Z(R-free) -0.41-0.440.01

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1-0.833-0.559-0.472
2nd generation packing quality1-1.303-0.805-0.330
Ramachandran plot appearance1-3.255-1.806-1.451
Chi-1/Chi-2 rotamer normality1-5.231-3.812-2.581
Backbone conformation1-0.237-0.077-0.161
Bond length RMS Z-score20.5770.3080.314
Bond angle RMS Z-score20.8770.6360.643
Total number of bumps31035863
Unsatisfied H-bond donors/acceptors3292926
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 residues66
Significantly deteriorated residues0
Changes of all residuesPlot

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