8F8L
The structure of Rv2173 from M. tuberculosis with DMAP 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 | 2016-07-11 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.953700 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 66.841, 83.844, 188.122 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.580 - 2.200 |
| R-factor | 0.2124 |
| Rwork | 0.211 |
| R-free | 0.24360 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.377 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.580 | 2.270 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.229 | 2.696 |
| Rmeas | 0.238 | 2.861 |
| Rpim | 0.064 | 0.923 |
| Total number of observations | 365883 | 18434 |
| Number of reflections | 26527 | 2016 |
| <I/σ(I)> | 12.6 | 0.9 |
| Completeness [%] | 97.2 | |
| Redundancy | 13.8 | 9.1 |
| CC(1/2) | 0.996 | 0.238 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 291 | 0.1 M Bicine-Tris, pH 8.3, 12.5% PEG4000, 25% glycerol, 0.03 M CA mix Ca/Mg |
