5AE1
Ether Lipid-Generating Enzyme AGPS in complex with inhibitor ZINC69435460
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Spacegroup name | P 1 |
| Unit cell lengths | 60.790, 99.020, 107.020 |
| Unit cell angles | 90.64, 89.96, 95.49 |
Refinement procedure
| Resolution | 107.010 - 2.100 |
| R-factor | 0.18674 |
| Rwork | 0.186 |
| R-free | 0.22921 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4bby |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.765 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0124) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.140 | 2.210 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.160 | 0.820 |
| Number of reflections | 135947 | |
| <I/σ(I)> | 5.4 | 1.8 |
| Completeness [%] | 93.8 | 89.1 |
| Redundancy | 3.3 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | PEG 1500 20% HEPES 100 MM PH 7.5 |
