9HSB
Crystal structure of C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with (5-methyl-3-isoxazolyl)methylamine
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 PILATUS3 6M |
| Wavelength(s) | 0.9655 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 50.441, 68.195, 117.016 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 58.510 - 1.810 |
| R-factor | 0.188 |
| Rwork | 0.187 |
| R-free | 0.21400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.721 |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 58.510 | 1.663 |
| High resolution limit [Å] | 1.547 | 1.547 |
| Rmerge | 0.044 | 0.839 |
| Rmeas | 0.050 | 0.947 |
| Rpim | 0.025 | 0.431 |
| Total number of observations | 4897 | |
| Number of reflections | 33059 | 1076 |
| <I/σ(I)> | 16.8 | 1.7 |
| Completeness [%] | 71.8 | |
| Redundancy | 4.2 | 4.6 |
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 |
