5TQN

Lipoxygenase-1 (soybean) L546A mutant at 293K

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]	293
Detector technology	CCD
Collection date	2016-02-19
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.826561
Spacegroup name	P 1 21 1
Unit cell lengths	91.519, 92.656, 100.751
Unit cell angles	90.00, 93.47, 90.00

Refinement procedure

Resolution	42.966 - 1.800
R-factor	0.1461
Rwork	0.145
R-free	0.16800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3pzw
RMSD bond length	0.005
RMSD bond angle	0.747
Data scaling software	Aimless (0.5.17)
Phasing software	PHASER
Refinement software	PHENIX (1.10pre_2104)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.680	1.830
High resolution limit [Å]	1.800	1.800
Rmerge	0.083	0.991
Number of reflections	154946
<I/σ(I)>	11.1	1.5
Completeness [%]	99.8	99.9
Redundancy	3.5	3.6
CC(1/2)	0.998	0.518

Crystallization Conditions

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