8C73

Dark state 1.8 Angstrom crystal structure of cobalamin binding domain belonging to a light-dependent transcription regulator TtCarH obtained under aerobic condition form ll

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	64.519, 66.501, 205.245
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.910 - 1.700
R-factor	0.17289
Rwork	0.171
R-free	0.21002
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	2.079
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.8)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	29.900	1.760
High resolution limit [Å]	1.700	3.660	1.700
Rmerge	0.032	0.017	0.493
Rmeas	0.032	0.024	0.697
Number of reflections	97589	10099	9615
<I/σ(I)>	13.8	41.4	1.3
Completeness [%]	99.6	98.3	99.5
Redundancy	2	2	2
CC(1/2)	0.999	0.998	0.569

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