2YOF
Plasmodium falciparum thymidylate kinase in complex with a (thio)urea- beta-deoxythymidine inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-04-19 |
| Detector | ADSC QUANTUM 315r |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 109.639, 109.639, 121.892 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 94.950 - 1.820 |
| R-factor | 0.19067 |
| Rwork | 0.189 |
| R-free | 0.23086 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2wwf |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.425 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0088) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 51.290 | 1.920 |
| High resolution limit [Å] | 1.820 | 1.820 |
| Rmerge | 0.190 | 0.980 |
| Number of reflections | 76207 | |
| <I/σ(I)> | 12.9 | 2.2 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 10.6 | 10 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 0.2 M TRI-AMMONIUM CITRATE PH 7.0, 25% PEG3350 |
