6U6A
Crystal structure of Yck2 from Candida albicans in complex with kinase inhibitor GW461484A
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-03-11 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9792 |
Spacegroup name | H 3 |
Unit cell lengths | 91.563, 91.563, 119.624 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 37.630 - 2.450 |
R-factor | 0.1653 |
Rwork | 0.163 |
R-free | 0.21220 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5x18 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.039 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.15_3448) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.490 |
High resolution limit [Å] | 2.450 | 2.450 |
Rmerge | 0.084 | 0.623 |
Rpim | 0.033 | 0.887 |
Number of reflections | 13621 | 602 |
<I/σ(I)> | 23.16 | 2.13 |
Completeness [%] | 98.8 | 88.8 |
Redundancy | 7 | 5.1 |
CC(1/2) | 0.969 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 298 | 0.1 M Tris pH 8, 25 mM magnesium chloride, 22% (w/v) PEG3350, 1 mM GW461484A soak |