4K5N
Phosphonic Arginine Mimetics as Inhibitors of the M1 Aminopeptidases from Plasmodium falciparum
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-02-19 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.95467 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 75.762, 109.451, 118.638 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 80.450 - 1.910 |
| R-factor | 0.1638 |
| Rwork | 0.161 |
| R-free | 0.21030 |
| Starting model (for MR) | 3ebh |
| RMSD bond length | 0.025 |
| RMSD bond angle | 1.913 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 80.450 | 2.010 |
| High resolution limit [Å] | 1.910 | 1.910 |
| Rmerge | 0.106 | 0.630 |
| Number of reflections | 77568 | |
| Completeness [%] | 99.8 | 98.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 22% (v/v) PEG 8000, 10% (v/v) glycerol, 0.1 M Tris, 0.2 M MgCl2, vapor diffusion, hanging drop, temperature 298K, pH 8.5, VAPOR DIFFUSION, HANGING DROP |
