Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 113 |
| Detector technology | IMAGE PLATE |
| Collection date | 2002-06-06 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 59.981, 143.160, 71.934 |
| Unit cell angles | 90.00, 91.57, 90.00 |
Refinement procedure
| Resolution | 30.000 * - 2.300 |
| Rwork | 0.196 |
| R-free | 0.23900 * |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1NNM |
| RMSD bond length | 0.007 * |
| RMSD bond angle | 1.200 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 24.210 | 2.380 |
| High resolution limit [Å] | 2.300 * | 2.300 * |
| Rmerge | 0.105 * | 0.384 * |
| Total number of observations | 51552 * | |
| Number of reflections | 177381 * | 4037 * |
| <I/σ(I)> | 7.9 | 1.7 |
| Completeness [%] | 95.9 * | 78.3 |
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 |
