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 |