5V5Y
CRYSTAL STRUCTURE OF HUMAN WEE1 KINASE DOMAIN IN COMPLEX WITH MK1775
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-12-09 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.00 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 50.080, 63.100, 82.460 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 34.515 - 1.900 |
R-factor | 0.1728 |
Rwork | 0.171 |
R-free | 0.21470 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1x8b |
RMSD bond length | 0.006 |
RMSD bond angle | 0.977 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 34.515 | 34.515 | 1.950 |
High resolution limit [Å] | 1.900 | 8.500 | 1.900 |
Rmerge | 0.051 | 0.024 | 0.361 |
Rmeas | 0.056 | 0.027 | 0.397 |
Number of reflections | 21197 | 272 | 1544 |
<I/σ(I)> | 22.23 | 52.56 | 4.83 |
Completeness [%] | 99.8 | 96.5 | 100 |
Redundancy | 5.642 | 4.735 | 5.711 |
CC(1/2) | 0.999 | 0.999 | 0.945 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.9 | 291 | 9.0 MG/ML WEE1, 25 mM Na/K phosphate, 1 mM DTT, 0.1 M ammonium sulfate, 0.05 M Bis-tris (pH 5.5), 12.5 % PEG 3350, 1 mM MK1775 |