4BGF
The 3D-structure of arylamine-N-acetyltransferase from M. tuberculosis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-07-30 |
| Detector | MARRESEARCH MARMOSAIC 300MM |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 96.494, 139.147, 96.506 |
| Unit cell angles | 90.00, 91.18, 90.00 |
Refinement procedure
| Resolution | 29.629 - 2.097 |
| R-factor | 0.1628 |
| Rwork | 0.161 |
| R-free | 0.18730 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ltw |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.496 |
| Data reduction software | xia2 |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE: 1.8.2_1309)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.600 | 2.200 |
| High resolution limit [Å] | 2.097 | 2.097 |
| Rmerge | 0.080 | 0.530 |
| Number of reflections | 136366 | |
| <I/σ(I)> | 8.5 | 1.8 |
| Completeness [%] | 92.1 | 92.2 |
| Redundancy | 2.5 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 0.02 M CACL2, 0.1 M NA-ACETATE PH 4.6 AND 30 % MPD |
