2YOG
Plasmodium falciparum thymidylate kinase in complex with a (thio)urea- alpha-deoxythymidine inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-2 |
| Synchrotron site | ESRF |
| Beamline | ID14-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-02-20 |
| Detector | ADSC QUANTUM 4 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 49.060, 58.790, 71.710 |
| Unit cell angles | 90.00, 95.78, 90.00 |
Refinement procedure
| Resolution | 23.370 - 1.500 |
| R-factor | 0.1848 |
| Rwork | 0.182 |
| R-free | 0.23262 |
| Structure solution method | OTHER |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.443 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.5.0088) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 23.400 | 1.580 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.080 | 0.800 |
| Number of reflections | 64980 | |
| <I/σ(I)> | 9.2 | 1.4 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 3.5 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 0.1 M HEPES PH 7.0, 0.2 M LICL, 20% PEG6000 |
