8E9F
WD repeat-containing protein 5 complexed with 4-(7-((1H-imidazol-1-yl)methyl)-5-(1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)-1-oxo-3,4-dihydroisoquinolin-2(1H)-yl)-6-ethyl-N-methylquinoline-8-carboxamide (compound 10)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-G |
Synchrotron site | APS |
Beamline | 21-ID-G |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2022-02-25 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 0.97856 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 81.361, 86.040, 41.032 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.560 - 1.550 |
R-factor | 0.1604 |
Rwork | 0.159 |
R-free | 0.18410 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3eg6 |
RMSD bond length | 0.006 |
RMSD bond angle | 0.888 |
Data reduction software | DENZO |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.20_4459) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.560 | 1.580 |
High resolution limit [Å] | 1.550 | 1.550 |
Rmerge | 0.079 | 0.630 |
Number of reflections | 42739 | 2537 |
<I/σ(I)> | 38.3 | 3 |
Completeness [%] | 99.4 | 95 |
Redundancy | 7.9 | 6.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | BIS-Tris, ammonium acetate, PEG 3350, benzamidine |