7JT5
Mycobacterium tuberculosis dethiobiotin synthetase in complex with fragment analogue 9
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 | PIXEL |
Collection date | 2020-07-17 |
Detector | DECTRIS EIGER2 X 9M |
Wavelength(s) | 0.9537 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 55.648, 105.023, 152.719 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.810 - 2.000 |
R-factor | 0.205 |
Rwork | 0.203 |
R-free | 0.23300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6nmz |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.4) |
Phasing software | PHASER (2.8.3) |
Refinement software | PHENIX (1.18.2-3874) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 49.170 | 49.170 | 2.050 |
High resolution limit [Å] | 2.000 | 8.940 | 2.000 |
Rmerge | 0.095 | 0.026 | 1.492 |
Rmeas | 0.099 | 0.027 | 1.550 |
Rpim | 0.027 | 0.007 | 0.418 |
Total number of observations | 815221 | 9845 | 61181 |
Number of reflections | 61426 | 799 | 4488 |
<I/σ(I)> | 16.4 | 67.2 | 1.9 |
Completeness [%] | 100.0 | 99.3 | 100 |
Redundancy | 13.3 | 12.3 | 13.6 |
CC(1/2) | 0.999 | 1.000 | 0.828 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 289.15 | 1.2 - 1.7 M ammonium sulfate, 0.1 M Tris pH 8, 10-15% glycerol |