3GE3
Crystal Structure of the reduced Toluene 4-Monooxygenase HD T201A mutant complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-D |
| Synchrotron site | APS |
| Beamline | 21-ID-D |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2008-06-19 |
| Detector | MAR scanner 300 mm plate |
| Wavelength(s) | 0.97924 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 100.260, 115.966, 180.137 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.600 - 1.520 |
| R-factor | 0.16939 |
| Rwork | 0.168 |
| R-free | 0.19302 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3dhh |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.532 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0066) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.600 | |
| High resolution limit [Å] | 1.520 | 1.520 |
| Rmerge | 0.071 | |
| Number of reflections | 159683 | |
| Completeness [%] | 99.3 | 99.35 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 25% PEG 3350, 200 Na Acetate, 100 mM Bis-Tris, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
