3P0G

Structure of a nanobody-stabilized active state of the beta2 adrenoceptor

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]	78
Detector technology	CCD
Collection date	2010-03-10
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.0332
Spacegroup name	C 1 2 1
Unit cell lengths	236.686, 45.660, 71.375
Unit cell angles	90.00, 102.34, 90.00

Refinement procedure

Resolution	37.000 - 3.500
R-factor	0.2428
Rwork	0.235
R-free	0.30830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB entries 2RH1 and 3DWT
RMSD bond length	0.010
RMSD bond angle	1.220
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	BUSTER-TNT (BUSTER 2.8.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.560
High resolution limit [Å]	3.500	3.500
Rmerge	0.200
Number of reflections	9308
<I/σ(I)>	4.9
Completeness [%]	94.8	93.7
Redundancy	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		8	293	36-44% PEG 400, 100 mM Tris pH 8.0, 4% DMSO, 1% 1,2,3-heptanetriol, twin-syringe mixing method, temperature 293K
1		8	293	36-44% PEG 400, 100 mM Tris pH 8.0, 4% DMSO, 1% 1,2,3-heptanetriol, twin-syringe mixing method, temperature 293K