5TQO

Lipoxygenase-1 (soybean) L546A/L754A mutant at 300K

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]	300
Detector technology	CCD
Collection date	2013-08-17
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.826561
Spacegroup name	P 1 21 1
Unit cell lengths	91.610, 92.809, 101.267
Unit cell angles	90.00, 94.11, 90.00

Refinement procedure

Resolution	68.341 - 1.700
R-factor	0.141
Rwork	0.141
R-free	0.16290
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3pzw
RMSD bond length	0.006
RMSD bond angle	0.769
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.21)
Phasing software	PHASER
Refinement software	PHENIX (1.10pre_2104)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	68.341	68.341	1.790
High resolution limit [Å]	1.700	5.380	1.700
Rmerge		0.046	0.687
Number of reflections	184143
<I/σ(I)>	7.3	7	1.1
Completeness [%]	99.3	99.7	98.9
Redundancy	3.7	3.8	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	293	PEG-3350, Sodium Acetate