6O0N
M.tb MenD with Inhibitor
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 | 2016-02-25 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.953700 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 102.177, 143.231, 184.693 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.119 - 3.030 |
| R-factor | 0.219 |
| Rwork | 0.217 |
| R-free | 0.25650 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5ery |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.15) |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 48.120 | 48.120 | 3.120 |
| High resolution limit [Å] | 3.030 | 12.490 | 3.030 |
| Rmerge | 0.316 | 0.049 | 4.555 |
| Rmeas | 0.327 | 0.052 | 4.713 |
| Rpim | 0.084 | 0.015 | 1.207 |
| Total number of observations | 797300 | ||
| Number of reflections | 53451 | 863 | 4568 |
| <I/σ(I)> | 10 | ||
| Completeness [%] | 100.0 | 98.4 | 100 |
| Redundancy | 14.9 | 11.9 | 15.2 |
| CC(1/2) | 0.996 | 0.999 | 0.314 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 291 | Morpheus condition. MOPS/HEPES pH 7.5, PEG 4K, CA mix, glycerol |
