3KJ6

Crystal structure of a Methylated beta2 Adrenergic Receptor-Fab complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	CCD
Collection date	2008-08-04
Detector	MARRESEARCH
Wavelength(s)	1.0
Spacegroup name	C 1 2 1
Unit cell lengths	338.600, 48.600, 88.900
Unit cell angles	90.00, 104.40, 90.00

Refinement procedure

Resolution	44.409 - 3.400
R-factor	0.242
Rwork	0.238
R-free	0.28000
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.669
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.520
High resolution limit [Å]	3.400	7.320	3.400
Rmerge	0.117	0.062	0.383
Number of reflections	19946
<I/σ(I)>	6.5
Completeness [%]	98.2	98.1	90.2
Redundancy	5.4	5.7	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	bicelles, vapor diffusion	7	298	AmSO4, pH 7, bicelles, vapor diffusion, temperature 298K