1EQG

THE 2.6 ANGSTROM MODEL OF OVINE COX-1 COMPLEXED WITH IBUPROFEN

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	98.650, 204.990, 221.960
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.870 - 2.610
R-factor	0.223
Rwork	0.223
R-free	0.25000
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]	36.870	2.760
High resolution limit [Å]	2.610	2.600
Rmerge	0.052	0.187
Total number of observations	323752 *
Number of reflections	62423
<I/σ(I)>	15.9
Completeness [%]	90.8	74.4 *
Redundancy	4.66

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 4.0K

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 (%)