4O6M
Structure of AF2299, a CDP-alcohol phosphotransferase (CMP-bound)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-E |
| Synchrotron site | APS |
| Beamline | 24-ID-E |
| Temperature [K] | 298 |
| Detector technology | PIXEL |
| Collection date | 2013-12-05 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 1.0245 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 46.363, 91.148, 107.023 |
| Unit cell angles | 90.00, 92.05, 90.00 |
Refinement procedure
| Resolution | 46.330 - 1.901 |
| R-factor | 0.1995 |
| Rwork | 0.198 |
| R-free | 0.22350 |
| Structure solution method | SAD |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.858 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | SHELXD |
| Refinement software | PHENIX (dev_1558) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 46.330 | 2.020 | |
| High resolution limit [Å] | 1.900 | 5.690 | 1.900 |
| Rmerge | 0.071 | 0.012 | 0.012 |
| Number of reflections | 133951 | 4967 | 21730 |
| <I/σ(I)> | 8.38 | 34.73 | 0.61 |
| Completeness [%] | 97.1 | 96.6 | 97.1 |
| Redundancy | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Lipidic cubic phase (LCP) | 7.5 | 298 | 14% (v/v) PEG550 MME, 0.1M HEPES pH 7.5, 0.2M LiSO4, Lipidic cubic phase (LCP), temperature 298K |
