8T8K

Structure of Domain of Unknown Function 507 (DUF507) in Space Group C222(1)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 4.2.2
Synchrotron site	ALS
Beamline	4.2.2
Temperature [K]	100
Detector technology	CMOS
Collection date	2022-05-20
Detector	RDI CMOS_8M
Wavelength(s)	1.0722
Spacegroup name	C 2 2 21
Unit cell lengths	72.714, 86.534, 79.139
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.530 - 1.880
R-factor	0.2187
Rwork	0.217
R-free	0.25280
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.468
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.530	1.910
High resolution limit [Å]	1.870	1.870
Rmerge	0.081	0.618
Rmeas	0.088	0.668
Rpim	0.034	0.253
Total number of observations	144119	8975
Number of reflections	20928	1311
<I/σ(I)>	14.9	3.2
Completeness [%]	99.8
Redundancy	6.9	6.8
CC(1/2)	0.998	0.879

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	286	0.01 M Co(II)Cl2 hexahydrate, 0.1 M sodium acetate pH 4.6, and 1.0 M 1,6-hexanediol