PDB entry 4g83



Warnings!

Structure
SpacegroupP 21 21 21
Cell dimensionsa: 141.717 Åb: 96.345 Åc: 34.348 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution4.00 Å

Experimental data
ReflectionsAll: 4350Test set: 0 (0.0%)
Resolution range45.61 Å4.00 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.24100.32840.32960.3296
R-free0.30700.33000.36330.3633
σR-free 0.01140.01250.0125
R-free Z-score 5.622.582.58

Cross validation results
RR-freeDifferenceTest set size
Average0.32360.35860.0350436
σ-value0.00160.01100.011228

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1-2.624-2.761-2.761
2nd generation packing quality1-3.525-3.666-3.666
Ramachandran plot appearance10.857-0.071-0.071
Chi-1/Chi-2 rotamer normality1-4.145-4.891-4.891
Backbone conformation1-0.154-0.099-0.099
Bond length RMS Z-score20.6330.3290.329
Bond angle RMS Z-score21.2270.6610.661
Total number of bumps31869595
Unsatisfied H-bond donors/acceptors3685353
Full WHAT_CHECK reportsLink LinkLink

1 Higher is better
2 Should be lower than 1.000
3 Fewer is better

Electron density map validation
Real-space correlation coefficientReal-space R-factor
Significantly improved residues9516
Significantly deteriorated residues40
Changes of all residuesPlot Plot

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