PDB entry 1t5x



Warnings!

Structure
SpacegroupH 3
Cell dimensionsa: 173.208 Åb: 173.208 Åc: 121.543 Å
α: 90.00°β: 90.00°γ: 120.00°
Resolution2.50 Å

Experimental data
ReflectionsAll: 53191Test set: 5334 (10.0%)
Resolution range29.78 Å2.39 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.20800.20950.19130.1896
R-free0.24100.23620.21800.2162
σR-free 0.00320.00300.0030
Z(R-free) 6.135.205.10

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1-0.194-0.222-0.134
2nd generation packing quality1-1.250-1.196-1.010
Ramachandran plot appearance1-1.708-0.499-0.272
Chi-1/Chi-2 rotamer normality1-1.595-1.666-1.456
Backbone conformation10.3080.2460.474
Bond length RMS Z-score20.2990.5110.497
Bond angle RMS Z-score20.6190.7380.710
Total number of bumps3713824
Unsatisfied H-bond donors/acceptors3293027
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 residues101
Significantly deteriorated residues0
Changes of all residuesPlot

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