3I63
Peroxide Bound Toluene 4-Monooxygenase
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 | IMAGE PLATE |
| Collection date | 2008-12-11 |
| Detector | MAR scanner 300 mm plate |
| Wavelength(s) | 0.97872 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 98.792, 116.929, 181.608 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.400 - 2.090 |
| R-factor | 0.15871 |
| Rwork | 0.156 |
| R-free | 0.20116 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.023 |
| RMSD bond angle | 1.837 |
| 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] | 49.400 | 2.140 |
| High resolution limit [Å] | 2.090 | 2.090 |
| Number of reflections | 58829 | |
| Completeness [%] | 99.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 298 | .1 M Bis-Tris, 200 mM Ammonium Acetate, 24% PEG 3350, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
