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 |