4Q7C
Structure of AF2299, a CDP-alcohol phosphotransferase
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] | 100 |
| Detector technology | PIXEL |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.0245 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 46.417, 90.852, 106.611 |
| Unit cell angles | 90.00, 92.21, 90.00 |
Refinement procedure
| Resolution | 69.128 - 3.102 |
| R-factor | 0.2392 |
| Rwork | 0.238 |
| R-free | 0.26940 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB 4O6M |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.652 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 100.000 | 3.290 | |
| High resolution limit [Å] | 3.100 | 9.230 | 3.100 |
| Rmerge | 0.154 | 0.029 | 0.683 |
| Number of reflections | 31012 | ||
| <I/σ(I)> | 5.98 | 24.92 | 1.33 |
| Completeness [%] | 98.5 | 97 | 98.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Lipidic cubic phase (LCP) | 7 | 298 | 15% PEG 550 MME, 0.1 M Na-HEPES pH 7.0, 0.2 M potassium sodium tartrate, 2.5 mM CDP-glycerol, 1 mM TCEP, Lipidic cubic phase (LCP), temperature 298K |
