6P7U
CRYSTAL STRUCTURE OF THE CARBOXYLTRANSFERASE SUBUNIT OF ACC (ACCD6) IN COMPLEX WITH INHIBITOR QUIZALOFOP-P FROM MYCOBACTERIUM TUBERCULOSIS
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.1 |
Synchrotron site | ALS |
Beamline | 5.0.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-07-12 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 149.604, 153.343, 102.863 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.762 - 2.198 |
R-factor | 0.1725 |
Rwork | 0.171 |
R-free | 0.20640 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4g2r |
RMSD bond length | 0.008 |
RMSD bond angle | 1.108 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.8_1069) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.762 | 2.432 |
High resolution limit [Å] | 2.198 | 2.198 |
Number of reflections | 117732 | 117732 |
<I/σ(I)> | 1.34 | |
Completeness [%] | 97.5 | |
Redundancy | 7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 0.2 M Li2SO4, 0.1 M Tris pH 7, 1 M potassium sodium tartrate |