2WWH
Plasmodium falciparum thymidylate kinase in complex with AP5dT
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-11-09 |
| Detector | ADSC CCD |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 109.539, 109.539, 119.351 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 94.920 - 2.700 |
| R-factor | 0.191 |
| Rwork | 0.187 |
| R-free | 0.27000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2wwf |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.655 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.800 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.120 | 0.490 |
| Number of reflections | 23265 | |
| <I/σ(I)> | 16.8 | 1.7 |
| Completeness [%] | 99.2 | 92.4 |
| Redundancy | 8.1 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 2.04 M SODIUM MALONATE, PH 7.0 |
