8C33

Anaerobic light exposed 2.25 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 I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-10-08
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.9765
Spacegroup name	P 21 21 21
Unit cell lengths	60.918, 72.622, 200.943
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	58.930 - 2.250
R-factor	0.20009
Rwork	0.198
R-free	0.24798
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8c31
RMSD bond length	0.009
RMSD bond angle	1.867
Data reduction software	DIALS
Data scaling software	DIALS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0403)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	60.920	2.290
High resolution limit [Å]	2.250	2.250
Number of reflections	43294	2075
<I/σ(I)>	9.4	1.2
Completeness [%]	100.0	98.4
Redundancy	13.4	13.3
CC(1/2)	1.000	0.700

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 dark adapted crystals were exposed to light under anaerobic conditions inside a glove box for 30-40 secs