5O8F

Structure of a chimaeric beta3-alpha5 GABAA receptor in complex with nanobody Nb25 and pregnanolone

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-07-26
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9763
Spacegroup name	I 2 3
Unit cell lengths	290.102, 290.102, 290.102
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	205.130 - 3.200
R-factor	0.23296
Rwork	0.232
R-free	0.24240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4cof
RMSD bond length	0.007
RMSD bond angle	1.121
Data reduction software	HKL-2000
Data scaling software	Aimless (0.5.25)
Phasing software	PHASER (2.5.7)
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.752	3.310
High resolution limit [Å]	3.190	3.190
Rmerge	0.621	3.131
Rpim	0.131	0.609
Number of reflections	66928	6677
<I/σ(I)>	6.8	1.2
Completeness [%]	100.0	100
Redundancy	30.4	25.5
CC(1/2)	0.986	0.215

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	277	14% PEG 6000, 0.1M N-(2-Acetamido)iminodiacetic acid (ADA), 7.6 mM 4-Cyclohexyl-1-Butyl-beta-D-Maltoside (CYMAL-4)