2WWI
Plasmodium falciparum thymidylate kinase in complex with AZTMP and ADP
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 | 2007-07-21 |
| Detector | ADSC CCD |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 110.337, 110.337, 119.109 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 95.350 - 2.990 |
| R-factor | 0.204 |
| Rwork | 0.199 |
| R-free | 0.28700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2wwf |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.585 |
| 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 | 3.110 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rmerge | 0.120 | 0.290 |
| Number of reflections | 17385 | |
| <I/σ(I)> | 22.6 | 5 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 9.4 | 5.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 75 MM MES PH 6.5, 1.35 M TRI-SODIUM CITRATE, 0.125 M NACL |
