9HSE
Crystal structure of C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with 5-(aminomethyl)pyridin-2-amine
This is a non-PDB format compatible entry.
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 PILATUS 6M |
| Wavelength(s) | 0.965459 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 50.395, 69.420, 118.819 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 59.940 - 1.960 |
| R-factor | 0.2441 |
| Rwork | 0.242 |
| R-free | 0.27460 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.770 |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 59.940 | 1.990 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.099 | |
| Rmeas | 0.113 | |
| Rpim | 0.052 | |
| Number of reflections | 27573 | 1026 |
| <I/σ(I)> | 7.6 | |
| Completeness [%] | 99.0 | |
| Redundancy | 4.3 | 3.9 |
| CC(1/2) | 0.992 | 0.608 |
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 |
