8C76

Light-state 2.5 Angstrom wild-type X-ray crystal structure of the cobalamin binding domain belonging to a light-dependent transcription regulator TtCarH obtained under aerobic conditions from a form 2 crystal illuminated during 5 s

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-04-17
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.8856
Spacegroup name	P 21 21 21
Unit cell lengths	61.856, 73.157, 204.860
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.890 - 2.500
R-factor	0.18897
Rwork	0.186
R-free	0.23538
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.893
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.8)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.890	29.890	2.590
High resolution limit [Å]	2.500	5.380	2.500
Rmerge	0.033	0.014	0.443
Rmeas	0.046	0.020	0.626
Number of reflections	32962	3497	3268
<I/σ(I)>	11.8	30.7	1.3
Completeness [%]	98.9	99.4	99.9
Redundancy	2
CC(1/2)	0.998	0.999	0.677

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	7.5	293.15	PEG 10000 20%, 0.1 M HEPES pH 7.5