6C9N
Mycobacterium tuberculosis adenosine kinase bound to sangivamycin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-02-27 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9791829 |
| Spacegroup name | P 41 |
| Unit cell lengths | 48.910, 48.910, 262.059 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.585 - 2.100 |
| R-factor | 0.1887 |
| Rwork | 0.187 |
| R-free | 0.23060 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2pkm |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.099 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 34.580 | 2.175 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.074 | 0.245 |
| Number of reflections | 35090 | 3541 |
| <I/σ(I)> | 22.89 | |
| Completeness [%] | 98.3 | 99.75 |
| Redundancy | 7.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 290 | 100 mM HEPES, pH 7.5, 2 M ammonium sulfate, 2% PEG400 |
