7U5G

ACS122 Fab

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-1
Synchrotron site	SSRL
Beamline	BL12-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-05-21
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97946
Spacegroup name	P 21 21 21
Unit cell lengths	64.402, 70.445, 97.324
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.220 - 1.840
R-factor	0.2234
Rwork	0.222
R-free	0.25640
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5f7e
RMSD bond length	0.017
RMSD bond angle	1.286
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.220	1.880
High resolution limit [Å]	1.840	1.850
Rmerge	0.186	1.010
Rmeas	0.195	1.160
Rpim	0.056	0.570
Number of reflections	39554	1817
<I/σ(I)>	12.1
Completeness [%]	99.4
Redundancy	11.5
CC(1/2)	0.760	0.350

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277.15	0.1M of Tris (pH 8.5) and 55%(v/v) 2-methyl-2,4-pentanediol