1KP3
Crystal Structure of E. coli Argininosuccinate Synthetase in Complex with ATP and Citrulline
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.5418 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 76.478, 104.222, 128.835 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.000 * - 2.000 |
| R-factor | 0.1916 * |
| Rwork | 0.192 |
| R-free | 0.22940 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1k92 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.470 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.000 | 2.060 |
| High resolution limit [Å] | 1.990 * | 1.990 |
| Rmerge | 0.082 | 0.396 |
| Total number of observations | 229900 * | |
| Number of reflections | 34170 * | |
| <I/σ(I)> | 11.8 | |
| Completeness [%] | 95.6 * | 71.9 |
| Redundancy | 6.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | used microseeding * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 10 (mg/ml) | |
| 2 | 1 | drop | MES | 25 (mM) | pH6.5 |
| 3 | 1 | drop | ATP | 5 (mM) | |
| 4 | 1 | drop | 15 (mM) | ||
| 5 | 1 | drop | guanidine hydrochloride | 150 (mM) | |
| 6 | 1 | drop | sodium potassium phosphate | 2.0 (M) | |
| 7 | 1 | drop | MES | 100 (mM) | pH6.5 |
| 8 | 1 | reservoir | sodium potassium phosphate | 1.6 (M) | |
| 9 | 1 | reservoir | MES | 100 (mM) | pH6.5 |
