6H7O

ACTIVATED TURKEY BETA1 ADRENOCEPTOR WITH BOUND WEAK PARTIAL AGONIST CYANOPINDOLOL AND NANOBODY Nb6B9

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-3
Synchrotron site	ESRF
Beamline	MASSIF-3
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-11-12
Detector	DECTRIS EIGER X 4M
Wavelength(s)	0.968
Spacegroup name	P 21 21 21
Unit cell lengths	116.573, 119.963, 130.096
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.220 - 2.800
R-factor	0.2417
Rwork	0.240
R-free	0.27371
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2h6x 3p0g
RMSD bond length	0.008
RMSD bond angle	1.244
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]	38.220	2.890
High resolution limit [Å]	2.790	2.790
Number of reflections	45172
<I/σ(I)>	3.7
Completeness [%]	98.3
Redundancy	9.8

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