7SOI

Structure of I552A Soybean Lipoxygenase at 277K

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	277
Detector technology	PIXEL
Collection date	2017-07-19
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.885570
Spacegroup name	P 1 21 1
Unit cell lengths	91.531, 92.759, 99.836
Unit cell angles	90.00, 93.56, 90.00

Refinement procedure

Resolution	46.380 - 2.000
R-factor	0.2006
Rwork	0.198
R-free	0.25930
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	5t5v
RMSD bond length	0.012
RMSD bond angle	1.177
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.380	2.030
High resolution limit [Å]	2.000	2.000
Rmerge	0.254	4.780
Rmeas	0.314
Rpim	0.183	3.980
Number of reflections	109110	4240
<I/σ(I)>	4.2
Completeness [%]	97.0	75.7
Redundancy	5.4
CC(1/2)	0.991	0.105

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	9% PEG3350, 200 mM sodium acetate, pH 5.5