4O1Z

Crystal Structure of Ovine Cyclooxygenase-1 Complex with Meloxicam

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 5ID-B
Synchrotron site	APS
Beamline	5ID-B
Temperature [K]	100
Detector technology	CCD
Collection date	2001-11-14
Detector	MAR CCD 165 mm
Wavelength(s)	1.0010
Spacegroup name	P 65
Unit cell lengths	181.326, 181.326, 103.213
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	43.553 - 2.400
R-factor	0.1535
Rwork	0.150
R-free	0.17280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1q4g
RMSD bond length	0.009
RMSD bond angle	1.090
Data reduction software	XDS
Data scaling software	SCALEPACK
Phasing software	PHASES
Refinement software	PHENIX ((phenix.refine: 1.8.4_1496))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.680	46.680	2.450
High resolution limit [Å]	2.400	12.000	2.400
Rmerge	0.080	0.012	0.012
Number of reflections	75407
<I/σ(I)>	23.8	42.1	2.6
Completeness [%]	99.8	87.8	100
Redundancy	11.9	7.7	10.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	Sodium Citrate, Lithium Chloride, Sodium Azide, beta-octylglucoside, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K