8SV9
Crystal structure of ULK1 kinase domain with inhibitor MR-2088
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 93 |
Detector technology | CCD |
Collection date | 2023-05-09 |
Detector | RIGAKU SATURN 944+ |
Wavelength(s) | 1.54178 |
Spacegroup name | C 2 2 2 |
Unit cell lengths | 112.060, 139.960, 87.450 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.180 - 2.300 |
R-factor | 0.2122 |
Rwork | 0.210 |
R-free | 0.24690 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.002 |
RMSD bond angle | 0.551 |
Data reduction software | XDS (VERSION Jan 10, 2022) |
Data scaling software | XSCALE (VERSION Jan 10, 2022) |
Phasing software | PHENIX (1.20.1_4487) |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.180 | 2.360 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmeas | 0.101 | 0.940 |
Number of reflections | 29836 | 1981 |
<I/σ(I)> | 17.8 | 1.7 |
Completeness [%] | 96.5 | 87 |
Redundancy | 7.1 | 4.4 |
CC(1/2) | 0.999 | 0.574 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 292 | 0.05 M Bis-Tris pH 5.5, 0.2 M (NH4)2SO4, 20% PEG3350 |