5VGS
Crystal structure of lachrymatory factor synthase from Allium cepa in complex with crotyl alcohol
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-E |
| Synchrotron site | APS |
| Beamline | 24-ID-E |
| Temperature [K] | 80 |
| Detector technology | CCD |
| Collection date | 2016-10-29 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9791 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 38.930, 40.100, 97.630 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.093 - 1.900 |
| R-factor | 0.1693 |
| Rwork | 0.167 |
| R-free | 0.21520 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5vgl |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.994 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.100 | 1.940 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.900 | |
| Number of reflections | 12549 | 761 |
| <I/σ(I)> | 6.6 | 1.5 |
| Completeness [%] | 99.4 | 95.7 |
| Redundancy | 5.2 | 4.4 |
| CC(1/2) | 0.660 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 298 | 0.1 M sodium acetate, pH 4.5 containing PEG 3350 at concentrations between 25%-32% (w/v) |
