7MU7

Ask1 bound to compound 3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	93
Detector technology	PIXEL
Collection date	2019-11-01
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97
Spacegroup name	P 65 2 2
Unit cell lengths	77.050, 77.050, 419.380
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.265 - 2.298
R-factor	0.2071
Rwork	0.205
R-free	0.24160
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4bf2
RMSD bond length	0.005
RMSD bond angle	0.845
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.000	2.380
High resolution limit [Å]	2.298	2.300
Rmerge	0.100
Number of reflections	34330	3290
<I/σ(I)>	21.87
Completeness [%]	99.0
Redundancy	18.5
CC(1/2)	0.990	0.660

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	0.1M BisTRIS pH 5.5, 0.2M ammonium acetate, 3% sorbitol and 12% PEG3350