4JX6
Structure of the carboxyl transferase domain Y628A from Rhizobium etli pyruvate carboxylase with pyruvate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-G |
| Synchrotron site | APS |
| Beamline | 21-ID-G |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-06-10 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97856 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 84.809, 157.280, 245.885 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.780 |
| R-factor | 0.21147 |
| Rwork | 0.209 |
| R-free | 0.25844 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | CT+ALLOSTERIC DOMAIN (RESI 471-1067) OF PDB ENTRY 2QF7 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.384 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.830 |
| High resolution limit [Å] | 2.780 | 2.780 |
| Rmerge | 0.074 | 0.426 |
| Number of reflections | 83911 | |
| <I/σ(I)> | 26.3 | 4.3 |
| Completeness [%] | 99.9 | 99.6 |
| Redundancy | 7.2 | 7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6 | 298 | 11.7% (w/v) PEG 8000, 100 mM BisTris (pH 6.0), 200 mM Tetramethylammonium chloride, 3% (v/v) glycerol, BATCH CRYSTALLIZATION UNDER OIL, temperature 298K |
