3KOD
DTD from Plasmodium falciparum in complex with D-Serine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2008-10-22 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 |
Unit cell lengths | 52.281, 55.147, 92.535 |
Unit cell angles | 106.86, 101.86, 94.45 |
Refinement procedure
Resolution | 30.000 - 3.000 |
R-factor | 0.203 |
Rwork | 0.197 |
R-free | 0.30500 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.013 |
RMSD bond angle | 1.502 |
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 | 3.010 |
High resolution limit [Å] | 2.910 | 2.910 |
Rmerge | 0.064 | 0.566 |
Number of reflections | 20428 | |
<I/σ(I)> | 10.3 | |
Completeness [%] | 97.0 | 89.8 |
Redundancy | 2.9 | 2.7 |
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 |