6C9P
Mycobacterium tuberculosis adenosine kinase bound to 6-methylmercaptopurine riboside
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 | 2014-02-26 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | .9791829 |
| Spacegroup name | P 41 |
| Unit cell lengths | 49.438, 49.438, 263.986 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.960 - 2.000 |
| R-factor | 0.208 |
| Rwork | 0.206 |
| R-free | 0.23500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2pkm |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.555 |
| 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] | 34.960 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.137 | 0.785 |
| Number of reflections | 40841 | |
| <I/σ(I)> | 14.55 | |
| Completeness [%] | 96.1 | 97.6 |
| Redundancy | 6.9 | 6.1 |
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 |
