7T1G
Crystal structure of CAB1 Pantothenate Kinase from Saccharomyces cerevisiae in complex with compound YU385595
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 1 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-12-10 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.97857 |
Spacegroup name | P 1 |
Unit cell lengths | 50.200, 52.460, 69.360 |
Unit cell angles | 71.73, 85.98, 64.66 |
Refinement procedure
Resolution | 65.680 - 2.000 |
R-factor | 0.18 |
Rwork | 0.177 |
R-free | 0.23700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6uj5 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.533 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 65.700 | 2.050 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.081 | 0.296 |
Rpim | 0.054 | 0.200 |
Number of reflections | 37626 | 2738 |
<I/σ(I)> | 7.9 | |
Completeness [%] | 96.5 | |
Redundancy | 3 | |
CC(1/2) | 0.990 | 0.929 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 287 | 0.2 M Sodium fluoride, 18% w/v PEG 3350 |