7QVN
Crystal structure of the C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with(1H-pyrazol-5-yl)methanol
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 | 2021-03-12 |
| Detector | DECTRIS PILATUS3 2M |
| Wavelength(s) | 0.96546 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 50.495, 68.918, 117.345 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.020 - 2.210 |
| R-factor | 0.1902 |
| Rwork | 0.189 |
| R-free | 0.21770 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4zct |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 34.020 | 2.289 |
| High resolution limit [Å] | 2.210 | 2.210 |
| Rmerge | 0.028 | 1.207 |
| Rmeas | 0.039 | |
| Rpim | 0.681 | |
| Number of reflections | 10527 | 10521 |
| <I/σ(I)> | 14.17 | |
| Completeness [%] | 99.2 | 99.18 |
| Redundancy | 1.9 | 3.8 |
| CC(1/2) | 0.999 | 0.441 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 291.15 | PEG 4000 19%, TRIS pH8 0.1M Guanidine HCl 6-7-8-9-10% Glycerol 5-6-7% |
