3QS1
Crystal structure of KNI-10006 complex of Plasmepsin I (PMI) from Plasmodium falciparum
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2009-09-20 |
| Detector | MAR scanner 300 mm plate |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 43 |
| Unit cell lengths | 93.690, 93.690, 160.120 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 3.100 |
| R-factor | 0.21544 |
| Rwork | 0.211 |
| R-free | 0.29965 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.021 |
| RMSD bond angle | 2.161 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0104) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 3.200 |
| High resolution limit [Å] | 3.100 | 3.100 |
| Rmerge | 0.144 | 0.164 |
| Number of reflections | 24816 | |
| <I/σ(I)> | 11.8 | 1.2 |
| Completeness [%] | 99.0 | 98.5 |
| Redundancy | 5.8 | 5.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 25 % PEG 2000 MME, 0.1 M MES buffer, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
