1KEE
Inactivation of the Amidotransferase Activity of Carbamoyl Phosphate Synthetase by the Antibiotic Acivicin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL7-1 |
| Synchrotron site | SSRL |
| Beamline | BL7-1 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1998-07-31 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.908 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 152.400, 164.400, 333.200 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.100 |
| R-factor | 0.186 * |
| Rwork | 0.186 |
| R-free | 0.21100 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1jdb |
| RMSD bond length | 0.010 |
| RMSD bond angle | 2.120 |
| Data scaling software | SCALEPACK |
| Phasing software | TNT |
| Refinement software | TNT |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.180 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.044 | 0.179 |
| Number of reflections | 429957 | 34861 * |
| <I/σ(I)> | 37.9 | 5.9 |
| Completeness [%] | 88.9 | 72.7 |
| Redundancy | 4.4 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | unknown * | 7 * | 4 * | PEG 8000, Hepes, potassium chloride, manganese chloride, ornithine, tetraethylammonium chloride, HEPPS, pH 7.4, batch, temperature 277K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | 1 | protein | 4 (mg/ml) | |
| 10 | 1 | 2 | HEPES | 25 (mM) | pH7.4 |
| 2 | 1 | 1 | HEPES | 10 (mM) | pH7.0 |
| 3 | 1 | 1 | 100 (mM) | ||
| 4 | 1 | 2 | tetraethylammonium chloride | 0.65 (M) | |
| 5 | 1 | 2 | PEG8000 | 8 (%(w/v)) | |
| 6 | 1 | 2 | 100 (mM) | ||
| 7 | 1 | 2 | 0.5 (mM) | ||
| 8 | 1 | 2 | ornithine | 0.5 (mM) | |
| 9 | 1 | 2 | ADP | 1.25 (mM) |
