6C9Q
Mycobacterium tuberculosis adenosine kinase bound to 5'-aminoadenosine
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 | 2015-08-21 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | .9793371 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 71.904, 71.904, 110.256 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 41.277 - 1.950 |
| R-factor | 0.1848 |
| Rwork | 0.184 |
| R-free | 0.20820 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2pkm |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.990 |
| 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] | 41.280 | 2.020 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.075 | 0.164 |
| Number of reflections | 24597 | 26310 |
| <I/σ(I)> | 40.22 | 17.16 |
| Completeness [%] | 99.8 | 99.92 |
| Redundancy | 10.7 | 10.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 290 | 100 mM HEPES, pH 7.5, 1.2 M sodium citrate tribasic dihydrate |
