1FGR

LIPOXYGENASE-1 (SOYBEAN) AT 100K, Q697E MUTANT

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	1998-02-01
Detector	APS-1
Spacegroup name	P 1 21 1
Unit cell lengths	94.420, 92.830, 49.360
Unit cell angles	90.00, 90.08, 90.00

Refinement procedure

Resolution	20.000 - 1.600
R-factor	0.196 *
Rwork	0.196
R-free	0.22160
Structure solution method	IR
Starting model (for MR)	1f8n
RMSD bond length	0.009
RMSD bond angle	23.010 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.640
High resolution limit [Å]	1.600	1.600
Rmerge	0.064	0.297
Total number of observations	481538 *
Number of reflections	101592
<I/σ(I)>	32.2
Completeness [%]	90.7	56
Redundancy	4.74	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6 *	21 *	Minor, W., (1996) Biochemistry, 35, 10687. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	acetate	0.1 (M)
2	1	drop	PEG3400	4 (%(w/v))
3	1	drop	protein	4 (mg/ml)
4	1	reservoir	PEG3350	9 (%)
5	1	reservoir	sodium acetate	0.2 (M)