4GUZ
Structure of the arylamine N-acetyltransferase from Mycobacterium abscessus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-08-20 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.984 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 78.669, 78.763, 175.976 |
| Unit cell angles | 90.00, 89.99, 90.00 |
Refinement procedure
| Resolution | 38.390 - 1.800 |
| R-factor | 0.2115 |
| Rwork | 0.210 |
| R-free | 0.24510 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3d9w |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.950 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.390 | 1.910 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.114 | 0.806 |
| Number of reflections | 98775 | |
| <I/σ(I)> | 16.4 | 2.26 |
| Completeness [%] | 99.5 | 97.6 |
| Redundancy | 3.075 | 3.055 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 15% PEG 6000, 5% Glycerol , VAPOR DIFFUSION, SITTING DROP, temperature 291K |
