4LOC
Structure of the carboxyl transferase domain from Rhizobium etli pyruvate carboxylase with oxamate and biotin
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 | 2011-07-18 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97872 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 83.870, 157.123, 244.714 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.750 - 2.260 |
| R-factor | 0.17837 |
| Rwork | 0.176 |
| R-free | 0.21628 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4jx4 |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.836 |
| 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 | 2.300 |
| High resolution limit [Å] | 2.260 | 2.260 |
| Rmerge | 0.084 | 0.444 |
| Number of reflections | 145868 | |
| <I/σ(I)> | 20.6 | 3.4 |
| Completeness [%] | 98.3 | 94.7 |
| Redundancy | 7.1 | 6.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH CRYSTALLIZATION UNDER OIL | 6 | 298 | 14% (w/v) PEG 8000, 110 mM MOPS (pH 6.0), 165 mM Tetramethylammonium chloride, 2% (v/v) glycerol, BATCH CRYSTALLIZATION UNDER OIL, temperature 298K |
