2PKK
Crystal structure of M tuberculosis Adenosine Kinase complexed with 2-fluro adenosine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | OTHER |
| Temperature [K] | 120 |
| Detector technology | IMAGE PLATE |
| Collection date | 2006-06-07 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5412 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 71.916, 71.916, 110.521 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 62.260 - 1.930 |
| R-factor | 0.19165 |
| Rwork | 0.189 |
| R-free | 0.23958 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | apo MTB ADK |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.486 |
| Data reduction software | CrystalClear |
| Data scaling software | CrystalClear |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 62.260 | 1.980 |
| High resolution limit [Å] | 1.930 | 1.930 |
| Rmerge | 0.080 | 0.190 |
| Number of reflections | 23982 | |
| Completeness [%] | 99.6 | 99.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 290 | Crystals were obtained in conditions containing 0.1 M HEPES-Na, pH 7.5 and 1.4 M trisodium citrate dihydrate, VAPOR DIFFUSION, HANGING DROP, temperature 290K |
