9EMY
P. falciparum FIKK13 in complex with ATPgammaS
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-09-22 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9537 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 82.397, 121.657, 151.059 |
| Unit cell angles | 90.00, 90.02, 90.00 |
Refinement procedure
| Resolution | 64.169 - 2.814 |
| Rwork | 0.242 |
| R-free | 0.28620 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.549 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0430 (refmacat 0.4.88)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 64.170 | 2.860 |
| High resolution limit [Å] | 2.810 | 2.810 |
| Rmerge | 0.196 | 2.123 |
| Rmeas | 2.286 | |
| Rpim | 0.079 | 0.844 |
| Number of reflections | 72257 | 3451 |
| <I/σ(I)> | 6.8 | 0.4 |
| Completeness [%] | 99.8 | 96.1 |
| Redundancy | 7 | 7.3 |
| CC(1/2) | 0.995 | 0.614 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | 0.2 M LiCl, 20% w/v PEG 6,000, 10% v/v Ethylene Glycol, 0.1M HEPES |
