1EBV

OVINE PGHS-1 COMPLEXED WITH SALICYL HYDROXAMIC ACID

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	SIEMENS
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1999-04-02
Detector	MARRESEARCH
Spacegroup name	I 2 2 2
Unit cell lengths	98.870, 207.460, 221.980
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.500 - 3.200
R-factor	0.218 *
Rwork	0.218
R-free	0.24800
RMSD bond length	0.008
RMSD bond angle	1.400
Data scaling software	SCALEPACK
Phasing software	X-PLOR
Refinement software	CNS (0.9)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.000 *	3.400
High resolution limit [Å]	3.200	3.200
Rmerge	0.113	0.289 *
Total number of observations	124009 *
Number of reflections	35021 *
<I/σ(I)>	13
Completeness [%]	82.0	75 *
Redundancy	4	2.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.7	291	PEG4000, sodium phosphate, octyl glucoside, sodium chloride, diethyldithiocarbamate, pH 6.7, VAPOR DIFFUSION, HANGING DROP, temperature 291K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG4000	6.5 (%)
2	1	reservoir	sodium phosphate	65 (mM)	pH6.7
3	1	reservoir		410 (mM)
4	1	drop	enzyme	12 (mg/ml)
5	1	drop	sodium phosphate	20 (mM)	pH6.7
6	1	drop		100 (mM)
7	1	drop	beta-octylglucoside	0.6 (%(w/w))
8	1	drop	diethyldithiocarbamate	0.100 (mM)