1CE8
CARBAMOYL PHOSPHATE SYNTHETASE FROM ESCHERICHIS COLI WITH COMPLEXED WITH THE ALLOSTERIC LIGAND IMP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL7-1 |
| Synchrotron site | SSRL |
| Beamline | BL7-1 |
| Temperature [K] | 130 |
| Detector technology | IMAGE PLATE |
| Collection date | 1998-02 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 152.100, 163.900, 331.200 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.100 |
| R-factor | 0.192 |
| Rwork | 0.193 |
| R-free | 0.25700 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1a9x |
| RMSD bond length | 0.013 |
| RMSD bond angle | 17.899 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | TNT (5D) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.180 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.050 | 0.221 |
| Number of reflections | 445013 | 38417 * |
| <I/σ(I)> | 30.3 | 3.9 |
| Completeness [%] | 93.0 | 81 |
| Redundancy | 4 | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | unknown * | 7.4 | 4 * | pH 7.4 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | 1 | tetraethylammonium chloride | 0.65 (M) | |
| 2 | 1 | 1 | PEG8000 | 8 (%(w/v)) | |
| 3 | 1 | 1 | 100 (mM) | ||
| 4 | 1 | 1 | 0.5 (mM) | ||
| 5 | 1 | 1 | ornithine | 0.5 (mM) | |
| 6 | 1 | 1 | ADP | 1.25 (mM) | |
| 7 | 1 | 1 | BeF3 | 1.25 (mM) | |
| 8 | 1 | 1 | IMP | 5.0 (mM) | |
| 9 | 1 | 1 | HEPES | 25 (mM) |
