6H98

Native crystal structure of anaerobic ergothioneine biosynthesis enzyme from Chlorobium limicola.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-10-30
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1.000
Spacegroup name	C 1 2 1
Unit cell lengths	129.380, 43.222, 89.069
Unit cell angles	90.00, 108.50, 90.00

Refinement procedure

Resolution	43.505 - 1.800
R-factor	0.1666
Rwork	0.165
R-free	0.20440
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.587
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	59.400	1.840
High resolution limit [Å]	1.580	1.800
Rmerge	0.106	0.664
Rmeas	0.128	0.824
Rpim	0.070	0.353
Number of reflections	43583	43583
<I/σ(I)>	11.3	2.2
Completeness [%]	99.8	99.4
Redundancy	6.1
CC(1/2)	0.997	0.587

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	PEG 3350, magnesium formate dehydrate