5AE2
Ether Lipid-Generating Enzyme AGPS in complex with inhibitor 1e
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23 |
| Synchrotron site | ESRF |
| Beamline | ID23 |
| Temperature [K] | 100 |
| Spacegroup name | P 1 |
| Unit cell lengths | 60.530, 98.570, 107.070 |
| Unit cell angles | 90.57, 90.14, 95.67 |
Refinement procedure
| Resolution | 107.060 - 2.000 |
| R-factor | 0.17556 |
| Rwork | 0.175 |
| R-free | 0.22882 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4bby |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.909 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0124) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 72.700 | 2.100 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.140 | 0.920 |
| Number of reflections | 142107 | |
| <I/σ(I)> | 6.4 | 1.7 |
| Completeness [%] | 85.4 | 82.6 |
| Redundancy | 4 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | pH 7.5 |
