PDB entry 1jyu



Warnings!

Structure
SpacegroupI 4 2 2
Cell dimensionsa: 81.329 Åb: 81.329 Åc: 80.697 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution2.75 Å

Experimental data
ReflectionsAll: 3697Test set: 0 (0.0%)
Resolution range23.42 Å2.75 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.23100.22300.16130.1508
R-free0.28700.22310.20230.1929
σR-free 0.01190.01080.0103
Z(R-free) 3.74-0.81-1.16

Cross validation results
RR-freeDifferenceTest set size
Average0.14950.20070.0512367
σ-value0.00070.01570.015923

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1-2.673-1.976-1.975
2nd generation packing quality1-0.5630.2070.682
Ramachandran plot appearance1-3.148-0.2750.117
Chi-1/Chi-2 rotamer normality1-4.762-3.494-1.675
Backbone conformation1-0.1770.6040.597
Bond length RMS Z-score20.6160.4860.460
Bond angle RMS Z-score20.9740.7770.709
Total number of bumps33544
Unsatisfied H-bond donors/acceptors3776
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 residues53
Significantly deteriorated residues0
Changes of all residuesPlot

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