5TIO

Crystal Structure of Human Glycine Receptor alpha-3 Bound to AM-3607

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2014-08-13
Detector	RAYONIX MX300-HS
Wavelength(s)	1
Spacegroup name	P 43 21 2
Unit cell lengths	119.120, 119.120, 429.968
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 3.250
R-factor	0.234
Rwork	0.233
R-free	0.25400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4rif
RMSD bond length	0.006
RMSD bond angle	1.048
Data scaling software	HKL-2000 (2.3.8)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.370
High resolution limit [Å]	3.250	3.250
Rmerge	0.131	1.061
Number of reflections	47335
<I/σ(I)>	16.2	2.3
Completeness [%]	99.8	98.6
Redundancy	13.8	10.4
CC(1/2)	0.999	0.740

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	277	200 mM Calcium Chloride, 22.5-27.5% PEG-350MME, 100 mM MES