3A9I
Crystal structure of homocitrate synthase from Thermus thermophilus complexed with Lys
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 | 2009-10-23 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 80.281, 96.025, 77.082 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.600 - 1.800 |
| R-factor | 0.17285 |
| Rwork | 0.171 |
| R-free | 0.21338 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | homocitrate synthase (PDB ID 2ZTJ) |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.274 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.850 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.061 | 0.397 |
| Number of reflections | 28047 | |
| <I/σ(I)> | 35.098 | 4.1 |
| Redundancy | 7.3 | 7.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 1.8M Ammonium sulfate, 0.1M MES (pH6.5), 0.01M Cobaltous chloride hexahydrate, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
