4LDO

Structure of beta2 adrenoceptor bound to adrenaline and an engineered nanobody

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	78
Detector technology	CCD
Collection date	2013-02-23
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.033
Spacegroup name	P 21 21 21
Unit cell lengths	49.670, 66.480, 303.100
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.265 - 3.200
R-factor	0.2241
Rwork	0.222
R-free	0.25410
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4lde
RMSD bond length	0.003
RMSD bond angle	0.595
Data reduction software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: dev_1243))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.300	3.300
High resolution limit [Å]	3.200	3.200
Rmerge	0.188	0.679
Number of reflections	16359
<I/σ(I)>	6	1.9
Completeness [%]	92.7	78.8
Redundancy	5.5	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE	6.5	293	100 mM MES pH 6.2-6.7, 40-100 mM ammonium phosphate dibasic, 18-24% PEG400, LIPIDIC CUBIC PHASE, temperature 293K