Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CHESS BEAMLINE F2 |
| Synchrotron site | CHESS |
| Beamline | F2 |
| Temperature [K] | 113 |
| Detector technology | CCD |
| Collection date | 2002-04-26 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.98074 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 59.994, 143.016, 71.731 |
| Unit cell angles | 90.00, 91.32, 90.00 |
Refinement procedure
| Resolution | 30.000 * - 1.750 |
| Rwork | 0.184 |
| R-free | 0.21100 |
| Structure solution method | MIR |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.300 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SOLVE |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.800 | 1.810 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.071 * | 0.415 * |
| Total number of observations | 402947 * | |
| Number of reflections | 114217 * | 2926 * |
| <I/σ(I)> | 14.2 | 2 |
| Completeness [%] | 93.5 | 75.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 14 * | PEG 8000, ethylene glycol, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 287K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 10 (mg/ml) | |
| 2 | 1 | drop | CoA | 1 (mM) | |
| 3 | 1 | drop | TCEP | 1 (mM) | |
| 4 | 1 | drop | adenosine-5'-propylphosphate | 1 (mM) | |
| 5 | 1 | reservoir | PEG8000 | 10-14 (%) | |
| 6 | 1 | reservoir | ethylene glycol | 10 (%) | |
| 7 | 1 | reservoir | MES | 50 (mM) | pH6.5 |
