2YOH
Plasmodium falciparum thymidylate kinase in complex with a 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 | 49.260, 58.430, 71.830 |
| Unit cell angles | 90.00, 96.11, 90.00 |
Refinement procedure
| Resolution | 71.420 - 1.600 |
| R-factor | 0.16514 |
| Rwork | 0.162 |
| R-free | 0.21921 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2wwf |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.430 |
| 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] | 25.100 | 1.690 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.070 | 0.710 |
| Number of reflections | 53617 | |
| <I/σ(I)> | 11.7 | 1.7 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 3.7 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 0.1 M BIS-TRIS PH 6.5, 25% PEG3350 |
