8QFM

Ergothioneine dioxygenase from Thermocatellispora tengchongensis in complex with manganese

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	2021-08-19
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.00000
Spacegroup name	P 21 21 21
Unit cell lengths	44.531, 59.240, 133.986
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.380 - 1.900
R-factor	0.1861
Rwork	0.184
R-free	0.21650
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.930
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.17.1_3660: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.380	1.968
High resolution limit [Å]	1.900	1.900
Number of reflections	57347	5521
<I/σ(I)>	14.51	1.96
Completeness [%]	99.7
Redundancy	2
CC(1/2)	0.999	0.793

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M magnesium acetate tetrahydrate 0.1 M sodium cacodylate, pH 6.5 20% w/v PEG 8000