1JQN
Crystal structure of E.coli phosphoenolpyruvate carboxylase in complex with Mn2+ and DCDP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-18B |
| Synchrotron site | Photon Factory |
| Beamline | BL-18B |
| Temperature [K] | 293 |
| Detector technology | DIFFRACTOMETER |
| Collection date | 1999-11-24 |
| Detector | WEISSENBERG |
| Wavelength(s) | 1.0 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 117.950, 249.060, 83.120 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.500 - 2.350 |
| Rwork | 0.195 |
| R-free | 0.23100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 20.100 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.500 | 2.430 |
| High resolution limit [Å] | 2.350 | 2.350 |
| Rmerge | 0.058 | 0.302 |
| Total number of observations | 233027 * | |
| Number of reflections | 45789 | |
| Completeness [%] | 89.2 | 61.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.4 * | 293 | PEG300, Tris-HCl, MnCl2, DCDP, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 9 (mg/ml) | |
| 10 | 1 | reservoir | DCDP | 10 (mM) | |
| 11 | 1 | reservoir | PEG300 | 15 (%(w/v)) | |
| 2 | 1 | drop | Tris-HCl | 50 (mM) | pH7.4 |
| 3 | 1 | drop | dithiothreitol | 1 (mM) | |
| 4 | 1 | drop | aspartate | 10 (mM) | |
| 5 | 1 | reservoir | Tris-HCl | 50 (mM) | pH7.4 |
| 6 | 1 | reservoir | dithiothreitol | 0.6 (mM) | |
| 7 | 1 | reservoir | aspartate | 10 (mM) | |
| 8 | 1 | reservoir | sucrose | 0.6 (M) | |
| 9 | 1 | reservoir | 45 (mM) |
