7UKS
Crystal structure of SOS1 with phthalazine inhibitor bound (compound 15)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-E |
Synchrotron site | APS |
Beamline | 24-ID-E |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-11-11 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.987 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 40.792, 89.102, 172.316 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 61.940 - 2.290 |
R-factor | 0.2438 |
Rwork | 0.242 |
R-free | 0.27490 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5ovi |
RMSD bond length | 0.001 |
RMSD bond angle | 0.405 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 61.940 | 2.370 |
High resolution limit [Å] | 2.290 | 2.290 |
Rpim | 0.040 | 2.600 |
Number of reflections | 28762 | 2766 |
<I/σ(I)> | 13.8 | |
Completeness [%] | 98.8 | |
Redundancy | 4.4 | |
CC(1/2) | 0.990 | 0.450 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 281 | 5-15% PEG 8000, 5-15% Ethanol, 100 mM Tris pH 8 |