7N2O

AS4.2-YEIH-HLA*B27

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-1
Synchrotron site	SSRL
Beamline	BL12-1
Temperature [K]	80
Detector technology	PIXEL
Collection date	2020-02-28
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97946
Spacegroup name	P 21 21 21
Unit cell lengths	54.832, 95.999, 180.481
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.380 - 2.300
R-factor	0.2233
Rwork	0.221
R-free	0.26690
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ksb 1jge
RMSD bond length	0.002
RMSD bond angle	0.464
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.380	2.380
High resolution limit [Å]	2.300	2.300
Number of reflections	42906	3962
<I/σ(I)>	6.5
Completeness [%]	99.5
Redundancy	9.6
CC(1/2)	0.992	0.175

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	20% PEG3350 with 0.2M Ammonium acetate