9HSX
Crystal structure of C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with 2-aminopyridine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE MASSIF-1 |
| Synchrotron site | ESRF |
| Beamline | MASSIF-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-06-10 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.965459 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 50.354, 70.945, 119.638 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.410 - 2.230 |
| R-factor | 0.2141 |
| Rwork | 0.211 |
| R-free | 0.27350 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.814 |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.410 | 2.300 |
| High resolution limit [Å] | 2.230 | 2.230 |
| Rmerge | 0.085 | 1.006 |
| Rmeas | 0.098 | 1.190 |
| Rpim | 0.047 | 0.620 |
| Total number of observations | 2767 | |
| Number of reflections | 17730 | 824 |
| <I/σ(I)> | 9 | 1.5 |
| Completeness [%] | 95.7 | |
| Redundancy | 3.9 | 3.4 |
| CC(1/2) | 0.991 | 0.529 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291.15 | PEG 3350 11.5%, NaF 210 mM, Glycerol 5.8%, MnCl2 15mM, 1,3 propandiol 3% |
