4WFO

manganese-substituted soybean lipoxygenase-1

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]	100
Detector technology	CCD
Collection date	2013-11-08
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.11587
Spacegroup name	P 1 21 1
Unit cell lengths	48.123, 91.497, 90.897
Unit cell angles	90.00, 93.88, 90.00

Refinement procedure

Resolution	90.689 - 1.140
R-factor	0.1078
Rwork	0.108
R-free	0.12770
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3pzw
RMSD bond length	0.009
RMSD bond angle	1.083
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	90.690	1.160
High resolution limit [Å]	1.140	1.140
Rmerge	0.053	0.387
Number of reflections	268145
<I/σ(I)>	15.3	1.7
Completeness [%]	94.2	63.1
Redundancy	2.7	1.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	290	9% PEG3350, 200 mM sodium acetate