9CCF

Crystal Structure of DA7-2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-10-19
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.00002
Spacegroup name	P 1 21 1
Unit cell lengths	43.423, 67.214, 68.361
Unit cell angles	90.00, 96.75, 90.00

Refinement procedure

Resolution	47.760 - 4.000
R-factor	0.2423
Rwork	0.236
R-free	0.29630
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.429
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.21.1_5286)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.760	4.470
High resolution limit [Å]	4.000	4.000
Rmerge	0.047	0.118
Rpim	0.047
Number of reflections	3361	941
<I/σ(I)>	11.5	6.5
Completeness [%]	99.5	99.8
Redundancy	5	5.1
CC(1/2)	0.997	0.979

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	293	0.1 M Sodium acetate pH 4.6 and 25% (v/v) PEG 550 MME