5ADZ
Ether Lipid-Generating Enzyme AGPS in complex with inhibitor 1a
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 1 |
| Unit cell lengths | 61.060, 99.610, 107.970 |
| Unit cell angles | 90.57, 90.04, 94.76 |
Refinement procedure
| Resolution | 107.960 - 2.200 |
| R-factor | 0.19575 |
| Rwork | 0.195 |
| R-free | 0.25344 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4bby |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.703 |
| 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] | 32.000 | 2.240 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.190 | 0.700 |
| Number of reflections | 117589 | |
| <I/σ(I)> | 4.1 | 1.7 |
| Completeness [%] | 91.4 | 91.2 |
| Redundancy | 3.2 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | PEG 1500 20%, HEPES, PH 7.5, 100 MM |
