9HSY
Crystal structure of C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with 4-bromopyrazole
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 | 2023-03-12 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.965459 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 50.432, 70.809, 119.252 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.830 - 2.100 |
| R-factor | 0.2137 |
| Rwork | 0.212 |
| R-free | 0.24770 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.767 |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.449 | 2.103 |
| High resolution limit [Å] | 1.923 | 1.923 |
| Rmerge | 0.098 | 1.373 |
| Rmeas | 0.112 | 1.534 |
| Rpim | 0.052 | 0.669 |
| Total number of observations | 3026 | |
| Number of reflections | 22893 | 614 |
| <I/σ(I)> | 6.7 | 1.4 |
| Completeness [%] | 73.8 | |
| Redundancy | 4.4 | 4.9 |
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% |
