5JQH

Structure of beta2 adrenoceptor bound to carazolol and inactive-state stabilizing nanobody, Nb60

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]	80
Detector technology	CCD
Collection date	2014-02-08
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.033
Spacegroup name	P 21 21 21
Unit cell lengths	43.924, 164.486, 218.749
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.867 - 3.200
R-factor	0.2497
Rwork	0.246
R-free	0.29030
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2rh1
RMSD bond length	0.003
RMSD bond angle	0.429
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	32.900	3.300
High resolution limit [Å]	3.200	3.200
Rmerge	0.175	0.896
Number of reflections	26778
<I/σ(I)>	5.3	1.5
Completeness [%]	98.6	95.5
Redundancy	5.5	4.6
CC(1/2)	0.986

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE	7.5	293	100 mM HEPES pH 7.5, 20 mM EDTA, and 19-23% PEG300