8RPI

JanthE from Janthinobacterium sp. HH01, lactyl-ThDP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P14 (MX2)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-03-13
Detector	DECTRIS EIGER2 X CdTe 16M
Wavelength(s)	1.0000
Spacegroup name	C 1 2 1
Unit cell lengths	174.149, 118.539, 202.047
Unit cell angles	90.00, 96.72, 90.00

Refinement procedure

Resolution	85.690 - 2.710
R-factor	0.1966
Rwork	0.195
R-free	0.23430
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.621
Data reduction software	XDS (Jan 10, 2022)
Data scaling software	Aimless (0.7.7)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	85.690	2.756
High resolution limit [Å]	2.709	2.709
Rmeas	0.108	0.944
Number of reflections	105972	5488
<I/σ(I)>	12.9	2.2
Completeness [%]	95.5	99
Redundancy	7	7.2
CC(1/2)	0.997	0.756

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	Bis-Tris, Tris, Ammonium acetate, PEG 10000, Magnesium chloride, Thiamine diphosphate