7PYB
Crystal structure of the C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with 2-Hydroxypyridine
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 | 50.279, 69.229, 117.781 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.680 - 2.030 |
R-factor | 0.2096 |
Rwork | 0.208 |
R-free | 0.24220 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4zct |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (v1.19) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 40.680 | 40.680 | 2.000 |
High resolution limit [Å] | 1.890 | 5.620 | 1.890 |
Rmerge | 0.046 | 0.021 | 1.128 |
Rmeas | 0.059 | 0.026 | 2.270 |
Total number of observations | 71979 | ||
Number of reflections | 30264 | 1140 | 4557 |
<I/σ(I)> | 9.32 | 37.01 | 0.49 |
Completeness [%] | 94.5 | 94.1 | 88.3 |
Redundancy | 2.378 | 2.344 | 2.423 |
CC(1/2) | 0.999 | 0.999 | 0.312 |
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 |