1NO3

REFINED STRUCTURE OF SOYBEAN LIPOXYGENASE-3 WITH 4-NITROCATECHOL AT 2.15 ANGSTROM RESOLUTION

Replaces:  1BYT

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	295
Detector technology	IMAGE PLATE
Collection date	1997-11-15
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	C 1 2 1
Unit cell lengths	112.905, 137.531, 61.880
Unit cell angles	90.00, 95.48, 90.00

Refinement procedure

Resolution	10.000 - 2.150
R-factor	0.1887
Rwork	0.186
R-free	0.23300 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1BYT
RMSD bond length	0.016
RMSD bond angle	1.979
Data scaling software	SCALEPACK
Phasing software	CCP4 (V. 4.2.1 (MOLREP))
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	10.000 *	2.230
High resolution limit [Å]	2.150	2.150
Rmerge	0.079	0.346
Number of reflections	49989 *
<I/σ(I)>	13.7	2.14
Completeness [%]	99.1 *	99.3 *
Redundancy	2	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	5.3	295	20% PEG 8000, citrate-phosphate buffer 0.05M, tris.HCl, 0.2% sodium azide, pH 5.3, VAPOR DIFFUSION, SITTING DROP, temperature 295K