PDB entry 2r17



Warnings!

Structure
SpacegroupP 21 21 21
Cell dimensionsa: 66.250 Åb: 128.471 Åc: 140.452 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution2.80 Å

Experimental data
ReflectionsAll: 29873Test set: 1509 (5.1%)
Resolution range48.19 Å2.80 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.21600.22990.21180.2033
R-free0.26800.23920.25150.2481
σR-free 0.00620.00650.0064
Z(R-free) 5.920.42-0.64

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1-0.1610.2480.308
2nd generation packing quality1-1.240-0.553-0.280
Ramachandran plot appearance1-2.9830.1480.181
Chi-1/Chi-2 rotamer normality1-3.659-2.403-1.152
Backbone conformation1-0.1480.0340.026
Bond length RMS Z-score20.3370.3200.310
Bond angle RMS Z-score20.6580.6090.587
Total number of bumps31975845
Unsatisfied H-bond donors/acceptors3859087
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 residues79
Significantly deteriorated residues5
Changes of all residuesPlot

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