8BHG

GABA-A receptor a5 heteromer - a5V2 - Bretazenil

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	298
Detector technology	PIXEL
Collection date	2017-08-04
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9537
Spacegroup name	P 1 21 1
Unit cell lengths	81.140, 137.637, 113.351
Unit cell angles	90.00, 106.06, 90.00

Refinement procedure

Resolution	48.560 - 2.390
R-factor	0.2586
Rwork	0.257
R-free	0.28350
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4cof
RMSD bond length	0.003
RMSD bond angle	0.554
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	REFMAC
Refinement software	REFMAC (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.560	2.700
High resolution limit [Å]	2.390	2.390
Rmerge	0.184	1.132
Number of reflections	43371	428
<I/σ(I)>	10.4
Completeness [%]	91.2
Redundancy	13.3
CC(1/2)	0.990	0.596

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		279	22% PEG 400 0.37M potassium nitrate 0.1 M 2-(N-morpholino)ethanesulfonic acid (MES) pH 6.5