4LQ2
Crystal structure of ligand binding domain of CysB, a LysR member from Salmonella typhimurium in complex with effector ligand, O-acetylserine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2013-01-19 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 57.496, 73.761, 104.252 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.347 - 2.694 |
| R-factor | 0.2322 |
| Rwork | 0.229 |
| R-free | 0.28910 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1al3 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.249 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASES |
| Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 50.000 |
| High resolution limit [Å] | 2.690 |
| Rmerge | 0.306 |
| Number of reflections | 5882 |
| <I/σ(I)> | 35.209 |
| Completeness [%] | 65.6 |
| Redundancy | 5.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 291 | 30%(w/v) PEG4000, 0.1M Tris pH 8.5, 0.2M Magnesium chloride, VAPOR DIFFUSION, SITTING DROP, temperature 291K |
