8C37

An intermediate light exposed 2.15 Angstrom crystal structure of H132A variant of cobalamin binding domain belonging to a light-dependent transcription regulator TtCarH obtained under anaerobic conditions

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	2021-10-09
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	61.821, 69.683, 201.809
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	59.180 - 2.150
R-factor	0.19528
Rwork	0.193
R-free	0.22967
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8c35
RMSD bond length	0.008
RMSD bond angle	2.107
Data reduction software	xia2
Data scaling software	DIALS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0403)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	61.820	2.190
High resolution limit [Å]	2.150	2.150
Number of reflections	48484	2376
<I/σ(I)>	18.2	1
Completeness [%]	100.0	100
Redundancy	13.4	13.7
CC(1/2)	1.000	0.800

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.8	293	0.1 M ammonium sulfate, 0.1 M sodium citrate pH 5.8, 16% w/v PEG 4000, 20% v/v glycerol