8EZ2
Plasmodium falciparum M1 in complex with inhibitor 15ag
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 | 2020-11-20 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 0.95372 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 74.996, 108.318, 117.486 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.910 - 1.830 |
R-factor | 0.1649 |
Rwork | 0.163 |
R-free | 0.20710 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ebg |
RMSD bond length | 0.011 |
RMSD bond angle | 1.091 |
Data reduction software | iMOSFLM |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.910 | 1.895 |
High resolution limit [Å] | 1.830 | 1.830 |
Number of reflections | 169716 | 16664 |
<I/σ(I)> | 9.75 | |
Completeness [%] | 99.9 | |
Redundancy | 2 | |
CC(1/2) | 0.999 | 0.722 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 20-30% poly(ethylene glycol) (PEG)8000, 0.1 M Tris pH 7.5-8.5, 0.2 M MgCl2, 10% glycerol |