6F0B
Cytochrome P450 TxtC employs substrate conformational switching for sequential aliphatic and aromatic thaxtomin hydroxylation
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-12-16 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9686 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 116.780, 84.240, 86.270 |
| Unit cell angles | 90.00, 135.16, 90.00 |
Refinement procedure
| Resolution | 34.650 - 2.800 |
| R-factor | 0.17866 |
| Rwork | 0.176 |
| R-free | 0.22799 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2z36 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.794 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | BALBES |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.000 | 2.950 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.073 | 0.609 |
| Rmeas | 0.080 | |
| Number of reflections | 14147 | 1023 |
| <I/σ(I)> | 12.5 | 2 |
| Completeness [%] | 97.1 | 96.5 |
| Redundancy | 3 | 2.07 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | 0.2 M NaF, 20% PEG 3350, 0.1 M Bis-Tris propane |
