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 |