1CS0
Crystal structure of carbamoyl phosphate synthetase complexed at CYS269 in the small subunit with the tetrahedral mimic l-glutamate gamma-semialdehyde
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 | 1999-02-24 |
| Detector | OTHER |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 151.700, 163.800, 332.600 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.000 |
| R-factor | 0.186 |
| Rwork | 0.186 |
| R-free | 0.24200 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 2.140 |
| Data reduction software | d*TREK |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | TNT |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.089 | 0.293 |
| Total number of observations | 2729875 * | |
| Number of reflections | 550694 | |
| <I/σ(I)> | 16.4 | |
| Completeness [%] | 98.7 | 97.1 |
| Redundancy | 5 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Batch method * | 7.4 | 4 * | PEG 8000, TETRAETHYLAMMONIUM CHLORIDE, POTASSIUM CHLORIDE, MANGANESE(II) CHLORIDE, ADENOSINE 5'-DIPHOSPHATE, L-ORNITHINE, L-GLUTAMATE GAMMA-SEMIALDEHYDE, pH 7.4, BATCH, temperature 277K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | 1 | PEG8000 | 8 (%) | |
| 2 | 1 | 1 | tetraethylammonium chloride | 0.65 (M) | |
| 3 | 1 | 1 | 0.5 (mM) | ||
| 4 | 1 | 1 | 100 (mM) | ||
| 5 | 1 | 1 | ADP | 1.5 (mM) | |
| 6 | 1 | 1 | 1.5 (mM) | ||
| 7 | 1 | 1 | L-ornithine | 0.5 (mM) | |
| 8 | 1 | 1 | HEPPS | 25 (mM) |
