6PK2
CRYSTAL STRUCTURE OF THE CARBOXYLTRANSFERASE SUBUNIT OF ACC (ACCD6) IN COMPLEX WITH INHIBITOR QUIZALOFOP-P derivative FROM MYCOBACTERIUM TUBERCULOSIS
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-05-25 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.987 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 102.120, 149.797, 152.958 |
| Unit cell angles | 90.00, 90.04, 90.00 |
Refinement procedure
| Resolution | 48.444 - 2.402 |
| R-factor | 0.1735 |
| Rwork | 0.173 |
| R-free | 0.22150 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.081 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.8.2_1309) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.444 | 5.700 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Number of reflections | 176652 | 12677 |
| <I/σ(I)> | 1.35 | |
| Completeness [%] | 98.7 | |
| Redundancy | 1.35 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 277 | 1M potassium sodium tartrate, 0.1M Tris pH 8.5 |
