5Y19
Crystal structure of Plasmodium falciparum aminopeptidase N in complex with (S)-2-((2S,3R)-3-amino-2-hydroxy-4-phenylbutanamido)- N-hydroxy-4-methylpentanamide.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2016-05-26 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.54 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 74.988, 109.258, 112.238 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 24.960 - 1.830 |
R-factor | 0.168 |
Rwork | 0.166 |
R-free | 0.20730 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4x2u |
RMSD bond length | 0.019 |
RMSD bond angle | 1.862 |
Data reduction software | DENZO (2.3.1) |
Data scaling software | SCALEPACK (2.2.0) |
Refinement software | REFMAC (5.8.0135:01/10/15) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 24.960 | 1.896 |
High resolution limit [Å] | 1.830 | 1.830 |
Rmerge | 0.062 | 0.064 |
Number of reflections | 80888 | 7820 |
<I/σ(I)> | 24.4 | 5.79 |
Completeness [%] | 98.9 | 99.8 |
Redundancy | 6.1 | 6.9 |
CC(1/2) | 0.997 | 0.963 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 8.5 | 298 | 0.1M Tris pH 8.5, 0.2M Magnesium chloride, 24% PEG 2000 |