3BLI
Crystal structure of the catalytic domain of LiCMS in complexed with pyruvate and acetyl-CoA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU ULTRAX 18 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 84.990, 84.990, 115.730 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 19.290 - 2.500 |
| Rwork | 0.229 |
| R-free | 0.28100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ble |
| Data reduction software | CrystalClear |
| Data scaling software | CrystalClear |
| Phasing software | PHASER |
| Refinement software | CNS |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 19.950 |
| High resolution limit [Å] | 2.500 |
| Rmerge | 0.104 |
| Number of reflections | 16591 |
| Completeness [%] | 96.6 |
| Redundancy | 8.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7.5 | 293 | 0.1M HEPES, 2.0M Sodium malonate, pH7.5, vapor diffusion, temperature 293K, VAPOR DIFFUSION |
