1LNH

LIPOXYGENASE-3(SOYBEAN) NON-HEME FE(II) METALLOPROTEIN

Experimental procedure

Source type	ROTATING ANODE
Temperature [K]	296
Detector technology	IMAGE PLATE
Collection date	1994
Detector	RIGAKU
Spacegroup name	C 1 2 1
Unit cell lengths	112.800, 137.400, 61.850
Unit cell angles	90.00, 95.50, 90.00

Refinement procedure

Resolution	8.000 - 2.600
R-factor	0.174
Rwork	0.174
R-free	0.26500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	FOR MOLECULAR REPLACEMENT: 1SBL FOR SOYBEAN LIPOXYGENASE-1. THE MODEL WAS TRUNCATED TO INCLUDE ONLY THE ATOMS (7854) COMMON WITH LIPOXYGENASE-3 SEQUENCE (ENTRY 1SBL WAS REPLACED LATER IN PDB BY 2SBL WITH BETTER REFINED MODEL).
RMSD bond length	0.015
RMSD bond angle	25.460 *
Data reduction software	MSC
Phasing software	X-PLOR (3.1)
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	61.600	2.750
High resolution limit [Å]	2.600	2.600
Rmerge	0.062	0.117
Total number of observations	74331 *
Number of reflections	23403
<I/σ(I)>		3.39
Completeness [%]	80.1	48 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	5.3	23 *	pH 5.3

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop1	L3	10 (mg/ml)
2	1	drop1	Tris-HCl	0.1 (M)	pH7.0
3	1	drop2	PEG8000	20 (%(w/v))
4	1	drop2	sodium citrate phosphate	0.05 (M)	pH4.6
5	1	drop2		0.2 (%(w/v))
6	1	drop3	sodium phosphate	0.1 (M)	pH7.0
7	1	drop4	water
8	1	reservoir	PEG8000	20 (%)