2ABS
Crystal structure of T. gondii adenosine kinase complexed with AMP-PCP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 8-BM |
| Synchrotron site | APS |
| Beamline | 8-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-10-01 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9777 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 60.051, 67.923, 83.192 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 10.000 - 1.100 |
| R-factor | 0.1369 |
| Rwork | 0.135 |
| R-free | 0.16650 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1lio |
| RMSD bond length | 0.014 |
| RMSD bond angle | 0.032 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.140 |
| High resolution limit [Å] | 1.100 | 1.100 |
| Number of reflections | 129879 | |
| <I/σ(I)> | 13.6 | 2.8 |
| Completeness [%] | 93.7 | 71.9 |
| Redundancy | 3.1 | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.1 | 295 | PEG 4000, ammonium acetate, magnesium chloride, sodium citrate, pH 6.1, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
