1EQH

THE 2.7 ANGSTROM MODEL OF OVINE COX-1 COMPLEXED WITH FLURBIPROFEN

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X12C
Synchrotron site	NSLS
Beamline	X12C
Temperature [K]	120
Detector technology	IMAGE PLATE
Collection date	1999-08-28
Detector	MARRESEARCH
Spacegroup name	I 2 2 2
Unit cell lengths	98.686, 206.518, 220.339
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.790 - 2.700
R-factor	0.21
Rwork	0.210
R-free	0.24200
RMSD bond length	0.007
RMSD bond angle	1.300
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.790	2.870
High resolution limit [Å]	2.700	2.700
Rmerge	0.061	0.193
Total number of observations	273874 *
Number of reflections	60445
Completeness [%]	97.3	93.8 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.7	4. *	PEG-4000, sodium chloride, beta-octyl glucoside, potassium phosphate (dibasic), pH 6.7, VAPOR DIFFUSION, HANGING DROP, temperature 18K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	PEG4000	1.5-3 (%)
2	1	drop		50-125 (mM)
3	1	reservoir	PEG4000	4-6.5 (%)