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 |