1PGG

PROSTAGLANDIN H2 SYNTHASE-1 COMPLEXED WITH 1-(4-IODOBENZOYL)-5-METHOXY-2-METHYLINDOLE-3-ACETIC ACID (IODOINDOMETHACIN), TRANS MODEL

Experimental procedure

Detector technology	DIFFRACTOMETER
Collection date	1994-12
Detector	ENRAF-NONIUS FAST
Spacegroup name	I 2 2 2
Unit cell lengths	99.220, 208.990, 232.430
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 4.500
R-factor	0.254
Rwork	0.254
R-free	0.26400 *
RMSD bond length	0.015
RMSD bond angle	24.100 *
Data reduction software	MADNES
Phasing software	X-PLOR (3.1)
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall
Low resolution limit [Å]	15.000 *
High resolution limit [Å]	4.500
Rmerge	0.102
Total number of observations	15439 *
Number of reflections	11169
Completeness [%]	79.7
Redundancy	1.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	other *			Garavito, R.M., (1995) J. Biomembr. Bioenerg., 28, 13. *