9HSD
Crystal structure of C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with 4-picolylamine
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 | 2022-02-20 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.965459 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 50.294, 67.901, 117.073 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.830 - 2.180 |
| R-factor | 0.2104 |
| Rwork | 0.209 |
| R-free | 0.23500 |
| 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] | 58.737 | 2.037 |
| High resolution limit [Å] | 1.817 | 1.817 |
| Rmerge | 0.069 | 0.722 |
| Rmeas | 0.080 | 0.863 |
| Rpim | 0.038 | 0.466 |
| Total number of observations | 1979 | |
| Number of reflections | 19192 | 614 |
| <I/σ(I)> | 11.7 | 1.7 |
| Completeness [%] | 66.3 | |
| Redundancy | 4.1 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291.15 | PEG 4000 19%, TRIS pH8 0.1M 6-7-8-9-10% guanidine HCL 5-6-7% Glycerol |
