6H7N

ACTIVATED TURKEY BETA1 ADRENOCEPTOR WITH BOUND PARTIAL AGONIST XAMOTEROL AND NANOBODY Nb6B9

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-09-25
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.873
Spacegroup name	P 21 21 21
Unit cell lengths	116.410, 121.533, 130.247
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.500 - 2.500
R-factor	0.24862
Rwork	0.248
R-free	0.26631
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3p0g 2h6x
RMSD bond length	0.008
RMSD bond angle	1.193
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0174)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.500	2.560
High resolution limit [Å]	2.500	2.500
Number of reflections	64594
<I/σ(I)>	5.4
Completeness [%]	100.0
Redundancy	11.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	291	0.1 M Hepes-NaOH pH7.5 and 21-24% PEG1500