7PYC
Crystal structure of the C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with 2-Aminopyridine
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 | 50.462, 69.329, 118.132 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.410 - 2.360 |
R-factor | 0.2178 |
Rwork | 0.216 |
R-free | 0.25860 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4zct |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (v1.19) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 46.405 | 46.405 | 2.268 |
High resolution limit [Å] | 2.038 | 6.307 | 2.038 |
Rmerge | 0.044 | 0.018 | 0.632 |
Rmeas | 0.049 | 0.020 | 0.701 |
Rpim | 0.020 | 0.009 | 0.299 |
Total number of observations | 59423 | 2784 | 2917 |
Number of reflections | 8793 | 512 | 876 |
<I/σ(I)> | 19.6 | 62 | 2.3 |
Completeness [%] | 91.5 | 98.5 | 40.3 |
Redundancy | 5.8 | 5.4 | 5.7 |
CC(1/2) | 1.000 | 1.000 | 0.975 |
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 |