3KO7
DTD from Plasmodium falciparum in complex with D-Lysine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2008-10-15 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 |
Unit cell lengths | 51.905, 53.238, 91.092 |
Unit cell angles | 74.80, 75.45, 86.07 |
Refinement procedure
Resolution | 50.000 - 2.210 |
R-factor | 0.226 |
Rwork | 0.222 |
R-free | 0.29000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | PfDTD-Iodide model (not deposited) |
RMSD bond length | 0.009 |
RMSD bond angle | 1.230 |
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] | 50.000 | 2.290 |
High resolution limit [Å] | 2.210 | 2.210 |
Rmerge | 0.042 | 0.465 |
Number of reflections | 43292 | |
<I/σ(I)> | 13.3 | |
Completeness [%] | 94.7 | 81.4 |
Redundancy | 2.7 | 2.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 25% PEG 1500, VAPOR DIFFUSION, HANGING DROP, temperature 293K |