7PVG
Crystal structure of the C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with isonicotinic acid
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 | 50.126, 68.668, 117.654 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 59.310 - 2.270 |
R-factor | 0.226 |
Rwork | 0.225 |
R-free | 0.24690 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4zct |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.7) |
Phasing software | PHASER |
Refinement software | PHENIX (v1.19) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 59.310 | 59.310 | 2.350 |
High resolution limit [Å] | 2.270 | 9.090 | 2.270 |
Rmerge | 0.111 | 0.074 | 1.099 |
Rmeas | 0.129 | 0.087 | 1.273 |
Rpim | 0.064 | 0.045 | 0.628 |
Total number of observations | 37422 | 531 | 3385 |
Number of reflections | 9628 | 174 | 934 |
<I/σ(I)> | 6.4 | 15.3 | 1 |
Completeness [%] | 99.3 | 95.9 | 97.9 |
Redundancy | 3.9 | 3.1 | 3.9 |
CC(1/2) | 0.992 | 0.993 | 0.413 |
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 |