1IYH

Crystal structure of hematopoietic prostaglandin D synthase

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1997-10-01
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	49.113, 47.373, 184.696
Unit cell angles	90.00, 97.44, 90.00

Refinement procedure

Resolution	30.900 * - 1.700
R-factor	0.205
Rwork	0.205
R-free	0.24100 *
Structure solution method	MAD
RMSD bond length	0.006 *
RMSD bond angle	1.000 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000 *	1.760
High resolution limit [Å]	1.700	1.700
Rmerge	0.090	0.219 *
Total number of observations	514088 *
Number of reflections	80143 *
Completeness [%]	86.9 *	73.5
Redundancy	6.41

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	8.4	293	used macroseeding *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG6000	14 (%(w/v))
2	1	reservoir	Tris-HCl	50 (mM)	pH8.4
3	1	reservoir	GSH	5 (mM)
4	1	reservoir	dithiothreitol	5 (mM)
5	1	reservoir		2.5 (mM)	or MgCl2
6	1	reservoir	dioxane	1 (%(v/v))