3KO9
DTD from Plasmodium falciparum in complex with D-Arginine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2008-10-13 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 |
Unit cell lengths | 52.252, 54.863, 92.419 |
Unit cell angles | 106.94, 101.63, 94.49 |
Refinement procedure
Resolution | 30.000 - 2.750 |
R-factor | 0.205 |
Rwork | 0.201 |
R-free | 0.27500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | PfDTD-Iodide model (not deposited) |
RMSD bond length | 0.010 |
RMSD bond angle | 1.282 |
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] | 30.000 | 2.850 |
High resolution limit [Å] | 2.750 | 2.750 |
Rmerge | 0.053 | 0.521 |
Number of reflections | 24028 | |
<I/σ(I)> | 14.1 | |
Completeness [%] | 97.3 | 94.3 |
Redundancy | 3.9 | 3.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 25% PEG 1500, VAPOR DIFFUSION, HANGING DROP, temperature 293K |