5TQP

LIPOXYGENASE-1 (SOYBEAN) I553G 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	2012-09-14
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.8856
Spacegroup name	P 1 21 1
Unit cell lengths	91.570, 92.868, 100.925
Unit cell angles	90.00, 93.41, 90.00

Refinement procedure

Resolution	91.408 - 1.700
R-factor	0.1366
Rwork	0.136
R-free	0.15930
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3pzw
RMSD bond length	0.005
RMSD bond angle	0.733
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.20)
Phasing software	PHASER
Refinement software	PHENIX (1.10pre_2104)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	92.868	92.868	1.790
High resolution limit [Å]	1.700	5.380	1.700
Rmerge		0.046	0.642
Number of reflections	179967
<I/σ(I)>	7.9	7	0.9
Completeness [%]	97.4	98.7	96.7
Redundancy	2.4	2.4	2.4

Crystallization Conditions

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