7B6W

Crystal structure of the human alpha1B adrenergic receptor in complex with inverse agonist (+)-cyclazosin

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-02-19
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	67.883, 76.415, 151.634
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.726 - 2.873
Rwork	0.289
R-free	0.31660
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ibl
RMSD bond length	0.004
RMSD bond angle	1.275
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.726	3.066
High resolution limit [Å]	2.873	2.874
Rmerge	0.774	5.989
Rpim	0.316	2.615
Number of reflections	14777	724
<I/σ(I)>	5.5	1.7
Completeness [%]	89.0
Redundancy	6.9
CC(1/2)	0.618	0.159

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE	6	293.15	100 mM MES 400-480 mM Li citrate 28-33% (w/v) PEG400 10 mM L-glutathione reduced form 10 uM cyclazosin