5OSC

GLIC-GABAAR alpha1 chimera crystallized in complex with pregnenolone sulfate at pH 4.5

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-07-07
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9795
Spacegroup name	C 1 2 1
Unit cell lengths	183.310, 133.180, 161.860
Unit cell angles	90.00, 102.71, 90.00

Refinement procedure

Resolution	29.920 - 3.100
R-factor	0.213
Rwork	0.211
R-free	0.24600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5osa
RMSD bond length	0.002
RMSD bond angle	0.530
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	83.520	3.050
High resolution limit [Å]	2.970	2.970
Rmerge	0.098
Number of reflections	77782
<I/σ(I)>	1
Completeness [%]	99.4
Redundancy	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.5	289	12-16% PEG 4000, 100 mM NaCl, 100 mM Li2S04, 100 mM sodium acetate pH 4-5