6CZD
Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with adenosine diphosphate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
Synchrotron site | Australian Synchrotron |
Beamline | MX1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-08-04 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 0.9537 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 54.770, 105.750, 155.200 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.696 - 2.400 |
R-factor | 0.193 |
Rwork | 0.189 |
R-free | 0.25880 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 0.999 |
Data reduction software | MOSFLM |
Data scaling software | Aimless (0.5.32) |
Phasing software | PHASER |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 51.650 | 51.650 | 2.490 |
High resolution limit [Å] | 2.400 | 8.980 | 2.400 |
Rmerge | 0.097 | 0.039 | 0.280 |
Rmeas | 0.101 | 0.041 | 0.291 |
Rpim | 0.029 | 0.012 | 0.079 |
Number of reflections | 33692 | 769 | 2924 |
<I/σ(I)> | 18.5 | ||
Completeness [%] | 93.4 | 98.5 | 78.8 |
Redundancy | 10.9 | 11.4 | 11.6 |
CC(1/2) | 0.997 | 0.999 | 0.986 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 289.15 | 1.2 - 1.7M ammonium sulfate, 0.1M Tris pH 8 and 10 - 15% glycerol |