8RPJ

JanthE from Janthinobacterium sp. HH01

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	2023-04-21
Detector	DECTRIS EIGER2 X CdTe 16M
Wavelength(s)	0.97625
Spacegroup name	C 1 2 1
Unit cell lengths	185.196, 105.169, 193.605
Unit cell angles	90.00, 96.51, 90.00

Refinement procedure

Resolution	68.160 - 1.900
R-factor	0.155
Rwork	0.153
R-free	0.18580
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.791
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX (1.20.1-4487)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	84.340	1.935
High resolution limit [Å]	1.900	1.900
Rmerge	0.125
Rmeas		1.040
Number of reflections	286766	14248
<I/σ(I)>	10	2
Completeness [%]	99.3	99
Redundancy	6.8	7
CC(1/2)	0.994	0.710

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