7Z1I

Plant myrosinase TGG1 from Arabidopsis thaliana

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	2021-10-29
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.00000
Spacegroup name	P 1
Unit cell lengths	70.989, 88.989, 120.982
Unit cell angles	108.79, 92.87, 102.97

Refinement procedure

Resolution	55.520 - 3.090
R-factor	0.3181
Rwork	0.317
R-free	0.34070
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1myr
RMSD bond length	0.002
RMSD bond angle	0.441
Data reduction software	xia2 (0.6.475)
Data scaling software	Aimless
Phasing software	PHASER (1.20.1_4487)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	57.510	3.200
High resolution limit [Å]	3.090	3.090
Rmerge	0.115
Rmeas	0.163
Rpim	0.115
Number of reflections	48606	4282
<I/σ(I)>	5.2
Completeness [%]	98.4	93.7
Redundancy	3.4	3.5
CC(1/2)	0.936	0.770

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	291.15	100 mM Bis-Tris pH 7.0 300 mM NaCl 30% w/v polyethylene glycol 3,350