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 |