1N8Q

LIPOXYGENASE IN COMPLEX WITH PROTOCATECHUIC ACID

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	295
Detector technology	IMAGE PLATE
Collection date	2002-01-15
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	C 1 2 1
Unit cell lengths	112.645, 136.961, 61.799
Unit cell angles	90.00, 95.48, 90.00

Refinement procedure

Resolution	50.000 - 2.100
R-factor	0.192
Rwork	0.189
R-free	0.24500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ik3
RMSD bond length	0.016
RMSD bond angle	2.050 *
Data scaling software	SCALEPACK
Phasing software	MOLREP (from CCP4)
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.180
High resolution limit [Å]	2.100	2.100
Rmerge	0.070 *	0.450 *
Number of reflections	52281 *
<I/σ(I)>	12	1.36
Completeness [%]	1.0	86.2
Redundancy	2	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7 *	23 *	Skrzypczak-Jankun, E., (1997) Proteins, 29, 15. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	drop	Tris-HCl	0.1 (M)	pH7.
3	1	reservoir	PEG8000	20 (%(w/v))
4	1	reservoir	citrate-phosphate	0.05 (M)	pH4.6
5	1	reservoir		0.2 (%(w/v))
6	1	reservoir	sodium phosphate	0.1 (M)	pH7.