2PKF
Crystal structure of M tuberculosis Adenosine Kinase (apo)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-B |
| Synchrotron site | APS |
| Beamline | 23-ID-B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-10-23 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.979 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 114.272, 75.184, 94.730 |
| Unit cell angles | 90.00, 121.05, 90.00 |
Refinement procedure
| Resolution | 81.110 - 1.500 |
| R-factor | 0.17615 |
| Rwork | 0.175 |
| R-free | 0.19831 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Se-met MAD low resolution structure |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.171 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 81.110 | 1.530 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.040 | |
| Number of reflections | 104080 | |
| Completeness [%] | 99.8 | 99 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 290 | 20% PEG 8000, 100 mM sodium cacodylate pH 6.5, and 200 mM magnesium acetate tetrahydrate, VAPOR DIFFUSION, HANGING DROP, temperature 290K |
