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 |