3P3L
Crystal Structure of the Cytochrome P450 monooxygenase AurH (wildtype) from Streptomyces Thioluteus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.2 |
| Synchrotron site | BESSY |
| Beamline | 14.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-08-05 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.91841 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 152.430, 54.140, 130.300 |
| Unit cell angles | 90.00, 123.32, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.100 |
| R-factor | 0.21693 |
| Rwork | 0.214 |
| R-free | 0.26366 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.014 |
| RMSD bond angle | 0.735 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0085) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 2.100 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmerge | 0.139 | 0.615 |
| Number of reflections | 56058 | |
| <I/σ(I)> | 9.1 | 2.7 |
| Completeness [%] | 99.5 | 99.6 |
| Redundancy | 3.8 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 0.1 M NaCl, 2.0M AS, 0.1 M Tris pH=8.6-8.8, 10 mg/mL , pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
