PDB entry 1aqd



Structure
SpacegroupC 1 2 1
Cell dimensionsa: 134.514 Åb: 134.320 Åc: 131.232 Å
α: 90.00°β: 104.82°γ: 90.00°
Resolution2.45 Å

Experimental data
ReflectionsAll: 73533Test set: 7434 (10.1%)
Resolution range19.75 Å2.45 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.21600.21260.21430.2025
R-free0.27900.26530.24130.2302
σR-free 0.00220.00200.0019
R-free Z-score 9.2323.3022.00

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality10.557-0.2050.338
2nd generation packing quality1-0.473-1.184-0.332
Ramachandran plot appearance1-1.4800.1320.559
Chi-1/Chi-2 rotamer normality1-2.004-0.618-0.289
Backbone conformation10.7490.5021.147
Bond length RMS Z-score20.7560.4240.430
Bond angle RMS Z-score20.9450.6550.666
Total number of bumps32858371
Unsatisfied H-bond donors/acceptors3977073
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 residues6758
Significantly deteriorated residues616
Changes of all residuesPlot Plot

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