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 |