6CDU

Crystal structure of a chimeric human alpha1GABAA receptor in complex with alphaxalone

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-05-27
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9762
Spacegroup name	P 1 21 1
Unit cell lengths	108.202, 263.529, 109.160
Unit cell angles	90.00, 110.91, 90.00

Refinement procedure

Resolution	39.879 - 3.450
R-factor	0.2296
Rwork	0.227
R-free	0.28610
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4z90 apo structure
RMSD bond length	0.003
RMSD bond angle	0.661
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.880	3.520
High resolution limit [Å]	3.450	3.450
Rmerge	0.156	3.252
Rpim	0.042	0.877
Number of reflections	73186	4610
<I/σ(I)>	13.2	1.1
Completeness [%]	97.8	99.3
Redundancy	14.4	14.4
CC(1/2)	0.999	0.488

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.1	277	PEG400, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, NaSCN