7PY9
Crystal structure of the C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with (pyrrolidin-2-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 | 50.254, 68.399, 118.418 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.260 - 2.030 |
R-factor | 0.2027 |
Rwork | 0.202 |
R-free | 0.21020 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4zct |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 46.260 | 46.260 | 2.000 |
High resolution limit [Å] | 1.890 | 5.630 | 1.890 |
Rmerge | 0.044 | 0.023 | 1.782 |
Rmeas | 0.054 | 0.028 | 2.189 |
Total number of observations | 84529 | ||
Number of reflections | 31019 | 1158 | 4964 |
<I/σ(I)> | 10.79 | 41.14 | 0.53 |
Completeness [%] | 97.7 | 97 | 96.4 |
Redundancy | 2.725 | 2.723 | 2.718 |
CC(1/2) | 0.999 | 0.999 | 0.184 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 8 | 291.15 | PEG 4000 19%, TRIS pH8 0.1M 6-7-8-9-10% Guanidine HCl 5-6-7% Glycerol |