3KO5
D-Tyr-tRNA(Tyr) deacylase from Plasmodium falciparum in complex with ADP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-12-13 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97 |
| Spacegroup name | P 1 |
| Unit cell lengths | 51.914, 53.166, 91.435 |
| Unit cell angles | 106.19, 101.46, 91.09 |
Refinement procedure
| Resolution | 25.000 - 2.090 |
| R-factor | 0.208 |
| Rwork | 0.204 |
| R-free | 0.27100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PfDTD-Iodide model (not deposited) |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.027 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 2.180 |
| High resolution limit [Å] | 2.090 | 2.100 |
| Rmerge | 0.060 | 0.446 |
| Number of reflections | 52153 | |
| <I/σ(I)> | 7.5 | |
| Completeness [%] | 97.1 | 94 |
| Redundancy | 2.1 | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 25% PEG 3350, 0.1M MES, pH 6.2-6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
