4YAN
Crystal structure of LigE in complex with glutathione (GSH) from Sphingobium sp. strain SYK-6
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.2.2 |
| Synchrotron site | ALS |
| Beamline | 8.2.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-02-14 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.00002 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 121.006, 96.137, 126.164 |
| Unit cell angles | 90.00, 81.52, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.593 |
| R-factor | 0.225 |
| Rwork | 0.223 |
| R-free | 0.26710 |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.776 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((phenix.refine: dev_1839)) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 50.000 |
| High resolution limit [Å] | 2.593 |
| Number of reflections | 42163 |
| <I/σ(I)> | 6.1 |
| Completeness [%] | 97.7 |
| Redundancy | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 298 | 0.1 M Ammonium Citrate, 0.1 M MES pH 5.5, 20% PEG 3,350, 5% Isopropanol |
