7NMK
Crystal structure of the heterocyclic toxin methyltransferase from Mycobacterium tuberculosis with bound methylation product 1-methoxyquinolin-4(1H)-one
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-05-13 |
Detector | DECTRIS PILATUS 2M-F |
Wavelength(s) | 1.000030 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 69.866, 69.866, 95.644 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 17.470 - 1.204 |
R-factor | 0.17 |
Rwork | 0.169 |
R-free | 0.18700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7bgg |
RMSD bond length | 0.009 |
RMSD bond angle | 1.020 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | BUSTER (2.10.3) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 51.133 | 1.283 |
High resolution limit [Å] | 1.204 | 1.204 |
Number of reflections | 62745 | 3135 |
<I/σ(I)> | 16 | |
Completeness [%] | 92.5 | |
Redundancy | 19.7 | |
CC(1/2) | 0.999 | 0.528 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | Tacsimate pH 7 |