4M6V
Structure of the carboxyl transferase domain from Rhizobium etli pyruvate carboxylase with pyruvate and biocytin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-D |
| Synchrotron site | APS |
| Beamline | 21-ID-D |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-06-10 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.12706 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 84.641, 157.828, 244.953 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.660 - 2.400 |
| R-factor | 0.18568 |
| Rwork | 0.184 |
| R-free | 0.22319 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4jx4 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.385 |
| 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 | 2.460 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.069 | 0.405 |
| Number of reflections | 128103 | |
| <I/σ(I)> | 25.7 | 5.2 |
| Completeness [%] | 99.8 | 99.8 |
| Redundancy | 7.2 | 7.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH CRYSTALLIZATION UNDER OIL | 6 | 298 | 11% (w/v) PEG 8000, 100 mM BisTris (pH 6.0), 345 mM Tetramethylammonium chloride, BATCH CRYSTALLIZATION UNDER OIL, temperature 298K |
