9HSU
Crystal structure of C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with cyanoacetamide
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 | 50.337, 70.327, 117.814 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 60.390 - 1.950 |
| R-factor | 0.216 |
| Rwork | 0.214 |
| R-free | 0.25480 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 0.975 |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 60.390 | 1.988 |
| High resolution limit [Å] | 1.861 | 1.861 |
| Rmerge | 0.079 | 1.004 |
| Rmeas | 0.092 | 1.174 |
| Rpim | 0.046 | 0.584 |
| Total number of observations | 2543 | |
| Number of reflections | 27026 | 747 |
| <I/σ(I)> | 8.4 | 1.4 |
| Completeness [%] | 83.2 | |
| Redundancy | 3.6 | 3.4 |
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% |
