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 |