5TDU
Toluene 4-monooxygenase (T4moHD) bound to product after turnover in crystal
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 | 2013-04-20 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.98757 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 99.237, 116.003, 180.721 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.848 - 1.742 |
| R-factor | 0.1403 |
| Rwork | 0.140 |
| R-free | 0.17980 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3dhh |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.957 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (dev_1957) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.770 |
| High resolution limit [Å] | 1.740 | 1.740 |
| Rmerge | 0.610 | |
| Number of reflections | 103656 | |
| <I/σ(I)> | 27.5 | 2.83 |
| Completeness [%] | 99.4 | 87.5 |
| Redundancy | 7.4 | 6.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | 100 mM Bis-Tris ph 6.0, 18% PEG 3350, 200 mM Ammonium Chloride, 10 mM Dithionite, 2 mM Methylviologen |
