5GTG
Crystal structure of onion lachrymatory factor synthase (LFS) containing 1,2-propanediol
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NW12A |
| Temperature [K] | 95 |
| Detector technology | CCD |
| Collection date | 2016-02-23 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 41 |
| Unit cell lengths | 172.858, 172.858, 64.910 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.940 - 1.700 |
| R-factor | 0.23128 |
| Rwork | 0.230 |
| R-free | 0.25979 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5gtf |
| RMSD bond length | 0.031 |
| RMSD bond angle | 2.821 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.790 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Number of reflections | 204662 | |
| <I/σ(I)> | 19.8 | 4.2 |
| Completeness [%] | 97.3 | 79.1 |
| Redundancy | 6.1 | 4.9 |
| CC(1/2) | 0.860 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | Ammonium sulfate, MES |
