7LS4
Co-complex CYP46A1 with 9129 (1b)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-B |
| Synchrotron site | APS |
| Beamline | 23-ID-B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-10-09 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 58.914, 63.625, 123.457 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.800 - 2.050 |
| R-factor | 0.1878 |
| Rwork | 0.185 |
| R-free | 0.23450 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2q9g |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.621 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.000 | 2.100 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Number of reflections | 28194 | 1945 |
| <I/σ(I)> | 17.7 | 1.9 |
| Completeness [%] | 99.9 | 99.4 |
| Redundancy | 6.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 33.375% PEG MME 2000, 0.2M Mg Cl, 0.1M Tris Cl |
