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 |