3RMK
Toluene 4 monooxygenase H with 4-bromophenol
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-G |
| Synchrotron site | APS |
| Beamline | 21-ID-G |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-06-07 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97857 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 169.544, 176.771, 56.068 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.000 - 1.950 |
| R-factor | 0.1593 |
| Rwork | 0.157 |
| R-free | 0.19640 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.020 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 43.000 |
| High resolution limit [Å] | 1.950 |
| Number of reflections | 123099 |
| Completeness [%] | 99.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 298 | Protein Solution (0.1 Calcium Chloride, 15% MePEG 2K, 10 mM 4-bromophenol, 0.1 M Hepes, pH 7.5), vapor diffusion, hanging drop, temperature 298K |
