1RM6
Structure of 4-hydroxybenzoyl-CoA reductase from Thauera aromatica
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-07-11 |
| Detector | ADSC QUANTUM 4 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 113.015, 151.845, 174.866 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.910 - 1.600 |
| R-factor | 0.152 |
| Rwork | 0.152 |
| R-free | 0.17300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB ID 1QJ2 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.700 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | EPMR |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 1.720 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Number of reflections | 338532 | |
| <I/σ(I)> | 17.5 | 3.9 |
| Completeness [%] | 86.4 | 0.5 |
| Redundancy | 2.63 | 1.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 303 | triethanolamine, MgCl2, dithionite, PEG 4000, Hepes, MPD, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 303K, pH 7.50 |
