6PUB
Crystal Structure of the Type B Chloramphenicol Acetyltransferase from Vibrio cholerae in the Complex with Crystal Violet
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2019-02-26 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.97919 |
| Spacegroup name | P 63 2 2 |
| Unit cell lengths | 83.255, 83.255, 161.812 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 43.190 - 2.430 |
| R-factor | 0.2124 |
| Rwork | 0.210 |
| R-free | 0.25520 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3eev |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.404 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.470 |
| High resolution limit [Å] | 2.430 | 2.430 |
| Rmerge | 0.132 | 0.992 |
| Number of reflections | 13030 | 621 |
| <I/σ(I)> | 20.5 | 2.56 |
| Completeness [%] | 98.9 | 99 |
| Redundancy | 12 | 10.1 |
| CC(1/2) | 1.000 | 0.772 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 289 | 1.6 M ammonium sulfate, 0.1 M MES pH 6.5, 10 % v/v 1,4-Dioxane |
