PDB entry 4b3s



Warnings!

Structure
SpacegroupP 41 21 2
Cell dimensionsa: 401.150 Åb: 401.150 Åc: 173.640 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution3.15 Å

Experimental data
ReflectionsAll: 240081Test set: 0 (0.0%)
Resolution range39.65 Å3.15 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.21040.21940.19790.1972
R-free0.24730.21940.22960.2314
σR-free 0.00200.00210.0021
R-free Z-score 21.953.762.48

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1-2.578-2.293-2.264
2nd generation packing quality1-2.955-2.555-2.592
Ramachandran plot appearance1-5.919-4.401-4.165
Chi-1/Chi-2 rotamer normality1-4.376-4.706-4.299
Backbone conformation1-1.244-0.920-0.950
Bond length RMS Z-score20.4820.4140.413
Bond angle RMS Z-score20.7390.8180.814
Total number of bumps3239714541559
Unsatisfied H-bond donors/acceptors3433404381
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 residues81272
Significantly deteriorated residues207
Changes of all residuesPlot Plot

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