4MS3

Crystal structure of the extracellular domain of human GABA(B) receptor bound to the endogenous agonist GABA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	CCD
Collection date	2011-10-14
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97918
Spacegroup name	P 21 21 2
Unit cell lengths	115.480, 141.690, 59.310
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.650 - 2.500
R-factor	0.2096
Rwork	0.208
R-free	0.23180
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4mqe
RMSD bond length	0.009
RMSD bond angle	1.060
Data reduction software	XDS
Data scaling software	SCALA (3.3.16)
Phasing software	PHASER
Refinement software	BUSTER-TNT

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	60.388	60.388	2.640
High resolution limit [Å]	2.500	7.910	2.500
Rmerge	0.096	0.027	0.661
Total number of observations		3862	18188
Number of reflections	33921
<I/σ(I)>	11.4	22.1	1.1
Completeness [%]	99.1	92.1	99.9
Redundancy	3.7	3.6	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	293	18% PEG2000, 5% glycerol, 0.15 M ammonium chloride, 0.1 M sodium cacodylate, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K