1OX6
TOWARDS UNDERSTANDING THE MECHANISM OF THE COMPLEX CYCLIZATION REACTION CATALYZED BY IMIDAZOLE GLYCEROPHOSPHATE SYNTHASE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2001-03-28 |
| Detector | SBC-2 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 97.000, 112.000, 114.800 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.400 |
| R-factor | 0.2281 |
| Rwork | 0.228 |
| R-free | 0.25500 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1jvn |
| RMSD bond length | 0.007 |
| RMSD bond angle | 23.700 * |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 * | 2.490 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.106 | 0.460 |
| Number of reflections | 47205 | |
| <I/σ(I)> | 11.6 | 2.2 |
| Completeness [%] | 92.9 | 93.5 |
| Redundancy | 4.2 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 20 * | Chaudhuri, B.N., (2001) Structure, 9, 987. * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 10 (mg/ml) | |
| 2 | 1 | reservoir | ammonium sulfate | 0.2 (M) | |
| 3 | 1 | reservoir | PEG5000 MME | 22-28 (%) | |
| 4 | 1 | reservoir | MES | 0.1 (M) | pH6.5-7.0 |
