2WWF
Plasmodium falciparum thymidylate kinase in complex with TMP and ADP
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 | 2007-04-23 |
| Detector | ADSC CCD |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 110.127, 110.127, 120.097 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 95.350 - 1.890 |
| R-factor | 0.163 |
| Rwork | 0.160 |
| R-free | 0.20300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1e2q |
| RMSD bond length | 0.025 |
| RMSD bond angle | 2.007 |
| 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 | 1.930 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.080 | 0.300 |
| Number of reflections | 67190 | |
| <I/σ(I)> | 17.4 | 2.2 |
| Completeness [%] | 94.3 | 47.4 |
| Redundancy | 5.1 | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 75 MM HEPES PH 7.5, 1.35 M TRI- SODIUM CITRATE, 0.125 M NACL |
