1JDB
CARBAMOYL PHOSPHATE SYNTHETASE FROM ESCHERICHIA COLI
Experimental procedure
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL7-1 |
| Synchrotron site | SSRL |
| Beamline | BL7-1 |
| Temperature [K] | 120 |
| Detector technology | IMAGE PLATE |
| Collection date | 1997-07 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 143.800, 167.700, 323.000 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.100 |
| R-factor | 0.179 * |
| Rwork | 0.179 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1jdb |
| RMSD bond length | 0.011 |
| RMSD bond angle | 17.600 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| 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 | 0.059 | 0.203 |
| Number of reflections | 404724 | 32559 * |
| <I/σ(I)> | 22.9 | 3.2 |
| Completeness [%] | 90.0 | 73 |
| Redundancy | 4.1 | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Batch method * | 8 * | 277 * | 0.65M TETRAETHYL AMMONIUM CHLORIDE (E4NCL) 8% PEG 8000 100MM KCL 2.5MM MNCL2 2.5MM ADP 2.5MM ORNITHINE 25MM HEPES PH 7.4. THE CRYSTAL WAS SOAKED INTO: 1.4M E4NCL 8% PEG 8000 250MM KCL 2.5MM MNCL2 2.5MM ADP 2.5MM ORNITHINE 25MM GLUTAMINE 25MM HEPES PH 7.4 7.5% ETHYLENE GLYCOL. |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | 1 | 100 (mM) | ||
| 2 | 1 | 1 | L-ornithine | 0.5 (mM) | |
| 3 | 1 | 1 | 0.5 (mM) | ||
| 4 | 1 | 1 | ADP | 2.5 (mM) | |
| 5 | 1 | 1 | PEG8000 | 8 (%) | |
| 6 | 1 | 1 | tetraethylammonium chloride | 0.65 (M) | |
| 7 | 1 | 1 | HEPPS | 12.5 (mM) |
