8HZY

The crystal structure of a Radical SAM Enzyme DesII

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	2022-03-07
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9785
Spacegroup name	P 21 2 21
Unit cell lengths	97.088, 105.190, 118.248
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.979 - 2.040
R-factor	0.207433659102
Rwork	0.205
R-free	0.24425
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.771
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	32.980	2.080
High resolution limit [Å]	2.030	2.040
Number of reflections	77686	4562
<I/σ(I)>	5.8
Completeness [%]	100.0
Redundancy	6.2
CC(1/2)	0.990	0.680

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M MES monohydrate pH 6.0, 20% PEG 6000 and 1.0 M LiCl