9HSM
Crystal structure of C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with N-hydroxy-2-methylpropanimidamide
This is a non-PDB format compatible entry.
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 | 50.124, 67.522, 117.202 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.090 - 2.050 |
| R-factor | 0.2125 |
| Rwork | 0.211 |
| R-free | 0.23480 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.780 |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.090 | 2.010 |
| High resolution limit [Å] | 1.960 | 1.960 |
| Rmerge | 0.064 | 1.765 |
| Rmeas | 0.074 | 2.023 |
| Rpim | 0.035 | 0.959 |
| Total number of observations | 4051 | |
| Number of reflections | 22386 | 973 |
| <I/σ(I)> | 11.4 | 0.7 |
| Completeness [%] | 96.9 | |
| Redundancy | 4.2 | 4.2 |
| CC(1/2) | 0.982 | 0.346 |
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% |
