3ASJ
Crystal structure of homoisocitrate dehydrogenase in complex with a designed inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL26B1 |
| Synchrotron site | SPring-8 |
| Beamline | BL26B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-07-28 |
| Detector | RIGAKU JUPITER 210 |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 220.967, 93.695, 88.802 |
| Unit cell angles | 90.00, 97.68, 90.00 |
Refinement procedure
| Resolution | 44.020 - 2.600 |
| R-factor | 0.172 |
| Rwork | 0.169 |
| R-free | 0.23100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1x0l |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.574 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0063) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 109.800 |
| High resolution limit [Å] | 2.600 |
| Number of reflections | 55158 |
| Completeness [%] | 99.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.9 | 293 | 40% MPD, 0.1M CITRATE(PH 4.85), 2MM NAD+, 1MM MGSO4, 1MM THIA-HOMOCITARATE , VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 293K |
