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 |
