9HSP
Crystal structure of C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with oxazol-4-yl-methylamine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE MASSIF-3 |
| Synchrotron site | ESRF |
| Beamline | MASSIF-3 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-04-07 |
| Detector | DECTRIS EIGER X 4M |
| Wavelength(s) | 0.9677 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 50.370, 69.328, 118.385 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 59.820 - 2.090 |
| R-factor | 0.2061 |
| Rwork | 0.204 |
| R-free | 0.23730 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.885 |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 59.825 | 2.210 |
| High resolution limit [Å] | 2.088 | 2.088 |
| Rmerge | 0.126 | 1.342 |
| Rmeas | 0.137 | 1.451 |
| Rpim | 0.052 | 0.546 |
| Total number of observations | 3831 | |
| Number of reflections | 23632 | 558 |
| <I/σ(I)> | 7.4 | 1.3 |
| Completeness [%] | 88.0 | |
| Redundancy | 6.8 | 6.9 |
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% |
