6CZB
Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with uridine triphosphate (UTP) - promiscuous binding mode with disordered nucleoside
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 | 55.050, 105.290, 153.810 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.453 - 2.400 |
R-factor | 0.2074 |
Rwork | 0.204 |
R-free | 0.27850 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 0.919 |
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] | 55.050 | 55.050 | 2.490 |
High resolution limit [Å] | 2.400 | 8.980 | 2.400 |
Rmerge | 0.295 | 0.048 | 2.618 |
Rmeas | 0.330 | 0.055 | 2.930 |
Rpim | 0.145 | 0.026 | 1.290 |
Number of reflections | 35049 | 765 | 3466 |
<I/σ(I)> | 8.3 | ||
Completeness [%] | 97.9 | 98 | 93.9 |
Redundancy | 4.7 | 3.9 | 4.7 |
CC(1/2) | 0.982 | 0.995 | 0.408 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 289.15 | 1.2 - 1.7M ammonium sulfate, 0.1M Tris pH 8 and 10 - 15% glycerol |