7X0B

The structure of a Twitch Radical SAM Dehydrogenase SpeY

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-06-25
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97853
Spacegroup name	P 21 21 21
Unit cell lengths	64.932, 94.196, 107.577
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.935 - 2.020
R-factor	0.219159562088
Rwork	0.218
R-free	0.24687
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7wzv
RMSD bond length	0.004
RMSD bond angle	0.945
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.050
High resolution limit [Å]	2.020	2.020
Number of reflections	43975	43975
<I/σ(I)>	17.172
Completeness [%]	99.9
Redundancy	12.8
CC(1/2)	0.999	0.722

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.5 M Sodium cacodylate trihydrate (pH 6.5), 1.8 M Ammonium sulfate and 0.15 M Magnesium acetate tetrahydrate