2OLR
Crystal structure of Escherichia coli phosphoenolpyruvate carboxykinase complexed with carbon dioxide, Mg2+, ATP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 14-BM-C |
| Synchrotron site | APS |
| Beamline | 14-BM-C |
| Temperature [K] | 105 |
| Detector technology | CCD |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 124.854, 95.564, 46.476 |
| Unit cell angles | 90.00, 96.30, 90.00 |
Refinement procedure
| Resolution | 75.810 - 1.600 |
| R-factor | 0.17573 |
| Rwork | 0.175 |
| R-free | 0.19842 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ayl |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.292 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 75.800 | 1.450 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.078 | 0.402 |
| Number of reflections | 105079 | |
| <I/σ(I)> | 9.4 | 2.1 |
| Completeness [%] | 99.3 | 97.8 |
| Redundancy | 3.5 | 3.35 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.4 | 293 | 8 microL drops: 8 mg/ml protein concentration, 2 mM ATP, 5 mM oxalate, 100 mM sodium acetate (pH 4.4), 200 mM ammonium acetate, 12% PEG 4000, 1 ml resevoir: 100 mM sodium acetate, 200 mM ammonuim acetate, 27% PEG 4000, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
