8F8K
The structure of Rv2173 from M. tuberculosis with IPP 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 | 2013-06-01 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.953700 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 65.659, 82.692, 189.385 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.800 - 2.200 |
| R-factor | 0.2098 |
| Rwork | 0.208 |
| R-free | 0.23880 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.488 |
| 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] | 19.800 | 2.270 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.187 | 4.175 |
| Rmeas | 0.194 | 4.325 |
| Rpim | 0.051 | 1.124 |
| Total number of observations | 389059 | 33239 |
| Number of reflections | 26593 | 2255 |
| <I/σ(I)> | 15.4 | 0.9 |
| Completeness [%] | 99.9 | |
| Redundancy | 14.6 | 14.7 |
| CC(1/2) | 0.999 | 0.359 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 291 | 0.1 M Tris, pH 7.5, 0.2 M calcium acetate, 20% PEG3350 |
