5KDZ
The crystal structure of the T252A mutant of CYP199A4 in complex with 4-methoxybenzoate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-08-10 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.9537 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 41.330, 51.250, 79.480 |
| Unit cell angles | 90.00, 91.85, 90.00 |
Refinement procedure
| Resolution | 25.308 - 1.424 |
| R-factor | 0.1371 |
| Rwork | 0.135 |
| R-free | 0.17750 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB: 4DO1 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.210 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 79.450 | 1.450 |
| High resolution limit [Å] | 1.424 | 1.424 |
| Rmerge | 0.066 | |
| Number of reflections | 62253 | |
| <I/σ(I)> | 13 | |
| Completeness [%] | 95.9 | 79.9 |
| Redundancy | 4.9 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.25 | 289.15 | 0.2M Magnesium acetate PEG 3350, 23% w/v 0.1M Bis-Tris, pH 5.25 |
