7Z5W

ROS1 with AstraZeneca ligand 1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-11-20
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.98
Spacegroup name	P 1 21 1
Unit cell lengths	77.700, 41.340, 85.540
Unit cell angles	90.00, 90.03, 90.00

Refinement procedure

Resolution	42.770 - 2.254
R-factor	0.2258
Rwork	0.223
R-free	0.27550
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4uxl
RMSD bond length	0.008
RMSD bond angle	0.950
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	BUSTER (2.11.8 (24-FEB-2021))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.770	2.310
High resolution limit [Å]	2.250	2.250
Rmerge	0.089	1.339
Number of reflections	25992	1817
<I/σ(I)>	0.998
Completeness [%]	99.5
Redundancy	4.6
CC(1/2)	1.000

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.66	293.15	11% peg3350, 200mM AmSO4, PCTP 100mM pH 6.66. Grown in 15well plate. Seeded with previous crystals. ATP/Mg 10mM