8C34

Aerobic light exposed 1.8 Angstrom crystal structure of cobalamin binding domain belonging to a light-dependent transcription regulator TtCarH

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	2022-10-14
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.976
Spacegroup name	P 21 21 21
Unit cell lengths	60.870, 72.690, 201.560
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	52.100 - 1.820
Rwork	0.166
R-free	0.19800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8c31
Data reduction software	xia2.multiplex
Data scaling software	xia2.multiplex
Phasing software	PHASER
Refinement software	REFMAC (REFMAC 5.8.0352)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	52.100	1.850
High resolution limit [Å]	1.820	1.820
Number of reflections	81098	3892
<I/σ(I)>	19	1.1
Completeness [%]	100.0	97.4
Redundancy	25.7
CC(1/2)	1.000	0.500

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	Condition B3 from Morpheus screen (Molecular Dimensions) (0.09 M halogens, 0.1 M buffer system 1 pH 6.5, 30% v/v precipitant mix 3) Cryo-protected crystals exposed to bright 530 nm LED (Thorlabs) for 1-5 secs under aerobic conditions