6CVV
Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with adenosine triphosphate (ATP) - 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 | 55.480, 106.920, 152.780 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.245 - 2.410 |
R-factor | 0.2223 |
Rwork | 0.219 |
R-free | 0.27800 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.085 |
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] | 76.390 | 76.390 | 2.500 |
High resolution limit [Å] | 2.410 | 9.020 | 2.410 |
Rmerge | 0.167 | 0.031 | 2.018 |
Rmeas | 0.173 | 0.033 | 2.096 |
Rpim | 0.046 | 0.009 | 0.562 |
Number of reflections | 35992 | 796 | 3706 |
<I/σ(I)> | 14.5 | ||
Completeness [%] | 100.0 | 99.9 | 100 |
Redundancy | 14.1 | 11.2 | 13.7 |
CC(1/2) | 0.999 | 0.999 | 0.727 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 289.15 | 1.2 - 1.7M (NH4)2SO4, 0.1M Tris pH 8, 10 - 15% glycerol |