6O0J
M.tb MenD with ThDP and Inhibitor bound
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 110 |
Detector technology | CCD |
Collection date | 2016-12-12 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.953700 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 101.553, 143.673, 176.114 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.789 - 2.350 |
R-factor | 0.2077 |
Rwork | 0.205 |
R-free | 0.25050 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5esu |
Data reduction software | XDS |
Data scaling software | Aimless (0.5.15) |
Phasing software | PHASER |
Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 48.810 | 48.810 | 2.390 |
High resolution limit [Å] | 2.350 | 12.870 | 2.350 |
Rmerge | 0.280 | 0.033 | 4.349 |
Rmeas | 0.290 | 0.034 | 4.501 |
Rpim | 0.075 | 0.010 | 1.158 |
Number of reflections | 107806 | 757 | 5280 |
<I/σ(I)> | 10.7 | ||
Completeness [%] | 100.0 | 98.5 | 100 |
Redundancy | 14.8 | 11.7 | 15 |
CC(1/2) | 0.999 | 0.999 | 0.356 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | MORPH condition, HEPES/MOPS, PEG 4K, CA mix, glycerol, |