1PGE

PROSTAGLANDIN H2 SYNTHASE-1 COMPLEXED WITH P-(2'-IODO-5'-THENOYL)HYDROTROPIC ACID (IODOSUPROFEN)

Experimental procedure

Detector technology	DIFFRACTOMETER
Collection date	1994-04
Detector	ENRAF-NONIUS FAST
Spacegroup name	I 2 2 2
Unit cell lengths	99.690, 209.940, 234.280
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 * - 3.500
R-factor	0.189
Rwork	0.189
R-free	0.23100
RMSD bond length	0.011
RMSD bond angle	23.700 *
Data reduction software	MADNES
Phasing software	X-PLOR (3.1)
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	3.500
Rmerge	0.104
Total number of observations	69965 *
Number of reflections	28057
Completeness [%]	90.9 *
Redundancy	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *		18 *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein
2	1	drop	PEG	2 (%(w/w))
3	1	reservoir	PEG4000	6.5 (%)
4	1	reservoir	sodium phosphate	65 (mM)
5	1	reservoir		260 (mM)