4MR7

Crystal structure of the extracellular domain of human GABA(B) receptor bound to the antagonist CGP54626

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	2011-04-15
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97918
Spacegroup name	P 1 21 1
Unit cell lengths	69.670, 113.210, 73.460
Unit cell angles	90.00, 97.11, 90.00

Refinement procedure

Resolution	21.670 - 2.150
R-factor	0.2048
Rwork	0.203
R-free	0.23980
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4mqe
RMSD bond length	0.010
RMSD bond angle	1.110
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	BUSTER-TNT

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	100.000	100.000	2.190
High resolution limit [Å]	2.150	5.840	2.150
Rmerge	0.042	0.024	0.393
Number of reflections	57756
<I/σ(I)>	14.8
Completeness [%]	94.3	96.1	58.9
Redundancy	3.2	3.4	2.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	277	10% PEG3350, 20% glycerol, 0.12 M sodium acetate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K