4G2R
Crystal Structure of the carboxyltransferase subunit of ACC (AccD6) in complex with inhibitor haloxyfop from Mycobacterium tuberculosis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.2 |
| Synchrotron site | ALS |
| Beamline | 5.0.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-09-09 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 117.780, 126.240, 161.700 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 58.940 - 2.280 |
| R-factor | 0.165 |
| Rwork | 0.164 |
| R-free | 0.19800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4fb8 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.130 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.3.15) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.7.3_928) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 58.944 | 2.410 |
| High resolution limit [Å] | 2.280 | 2.280 |
| Rmerge | 0.078 | 0.508 |
| Number of reflections | 54953 | |
| <I/σ(I)> | 12.9 | 1.5 |
| Completeness [%] | 100.0 | 99.9 |
| Redundancy | 7 | 6.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 298 | 3.5 M sodium formate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
