3TW6
Structure of Rhizobium etli pyruvate carboxylase T882A with the allosteric activator, acetyl coenzyme-A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 298 |
| Detector technology | CCD |
| Collection date | 2009-07-26 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.979 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 370.445, 91.550, 261.354 |
| Unit cell angles | 90.00, 134.71, 90.00 |
Refinement procedure
| Resolution | 46.430 - 2.400 |
| R-factor | 0.1917 |
| Rwork | 0.189 |
| R-free | 0.23531 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.019 |
| RMSD bond angle | 2.026 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.490 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.083 | 0.351 |
| Number of reflections | 241087 | |
| <I/σ(I)> | 19.3 | 3.4 |
| Completeness [%] | 99.2 | 97 |
| Redundancy | 3.6 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | 14% PEG 4000, 10% MPD, 0.45M potassium chloride, 0.1 M triethanolamine, 1 mM TCEP, 5 mM ADP, 5 mM phosphonoacetate, 1 mM acetyl-CoA, 10 mM magnesium chloride, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
