5XM7
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 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-05-22 |
Detector | RIGAKU AFC-5R |
Wavelength(s) | 1.54 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 74.462, 109.103, 112.372 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 24.976 - 1.960 |
R-factor | 0.171 |
Rwork | 0.168 |
R-free | 0.21910 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4x2u |
RMSD bond length | 0.019 |
RMSD bond angle | 1.830 |
Data reduction software | DENZO (2.3.1) |
Data scaling software | SCALEPACK (2.2.0) |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 25.000 | 25.000 | 2.030 |
High resolution limit [Å] | 1.960 | 4.220 | 1.960 |
Rmerge | 0.082 | 0.078 | 0.348 |
Total number of observations | 424528 | ||
Number of reflections | 66352 | 6959 | 6533 |
<I/σ(I)> | 19.8 | ||
Completeness [%] | 100.0 | 99.9 | 100 |
Redundancy | 6.4 | 7 | 6.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 0.1M Tris, or trisaminomethane pH8.5, 0.2M magnesium chloride, 24%PEG2000 |