3N6W
Crystal structure of human gamma-butyrobetaine hydroxylase
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-2 |
Synchrotron site | ESRF |
Beamline | ID23-2 |
Temperature [K] | 100 |
Wavelength(s) | 1.00340, 0.97856, 0.91840 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 164.800, 164.800, 97.780 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 142.720 - 2.000 |
R-factor | 0.21 |
Rwork | 0.208 |
R-free | 0.23300 |
Structure solution method | MAD |
RMSD bond length | 0.010 |
RMSD bond angle | 1.156 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.16) |
Phasing software | SHELX |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 142.721 | 2.110 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.477 | |
Number of reflections | 51166 | |
<I/σ(I)> | 10.5 | 1.5 |
Completeness [%] | 96.4 | 82.3 |
Redundancy | 3.4 | 2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 4.5 | 298 | 0.1 M sodium acetate, 1.2 M ammonium sulfate, pH 4.5, vapour diffusion, sitting drop, temperature 298K |