9HSS
Crystal structure of C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with 1,4-oxazepane
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-03-10 |
| Detector | DECTRIS EIGER2 S 16M |
| Wavelength(s) | 0.8856 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 50.415, 68.068, 119.174 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 59.590 - 1.780 |
| R-factor | 0.1927 |
| Rwork | 0.191 |
| R-free | 0.22870 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.649 |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 59.590 | 1.851 |
| High resolution limit [Å] | 1.768 | 1.768 |
| Rmerge | 0.097 | 1.600 |
| Rmeas | 0.105 | 1.717 |
| Rpim | 0.039 | 0.617 |
| Total number of observations | 6810 | |
| Number of reflections | 35994 | 894 |
| <I/σ(I)> | 10.9 | 1.4 |
| Completeness [%] | 87.3 | |
| Redundancy | 7 | 7.6 |
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% |
