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 |