8JBT

B12-binding domain from Chloracidobacterium thermophilum MerR family protein, anaerobic light state

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-01-29
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9763
Spacegroup name	P 31 2 1
Unit cell lengths	123.485, 123.485, 73.105
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	106.940 - 2.300
R-factor	0.20733
Rwork	0.206
R-free	0.22527
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.929
Data reduction software	DIALS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.8.0419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	106.941	2.340
High resolution limit [Å]	2.299	2.300
Rmerge	0.280	2.463
Rmeas	0.287	2.750
Number of reflections	28905	2852
<I/σ(I)>	8.08	0.72
Completeness [%]	100.0	99.9
Redundancy	20.6	19.7
CC(1/2)	1.000	0.500

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	277	0.1M Tris pH 8.5, 20% v/v Ethanol