4MIM
Structure of the carboxyl transferase domain from Rhizobium etli pyruvate carboxylase with 3-bromopyruvate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-02-01 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 85.592, 157.060, 243.098 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.130 - 2.650 |
| R-factor | 0.18867 |
| Rwork | 0.186 |
| R-free | 0.23495 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4jx4 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.612 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.700 |
| High resolution limit [Å] | 2.650 | 2.650 |
| Rmerge | 0.082 | 0.443 |
| Number of reflections | 95052 | |
| <I/σ(I)> | 24.5 | 3.6 |
| Completeness [%] | 99.9 | 99.7 |
| Redundancy | 7.1 | 6.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH CRYSTALLIZATION UNDER OIL | 6 | 298 | 11.3% (w/v) PEG 8000, 99 mM BisTris, 346 mM tetramethylammonium chloride, pH 6.0, BATCH CRYSTALLIZATION UNDER OIL, temperature 298K |
