5L4E

X-ray structure of the 2-22' locally-closed mutant of GLIC in complex with thiopental

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	80
Detector technology	PIXEL
Collection date	2015-04-12
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.98
Spacegroup name	C 1 2 1
Unit cell lengths	182.025, 134.581, 159.018
Unit cell angles	90.00, 101.88, 90.00

Refinement procedure

Resolution	40.410 - 3.500
R-factor	0.2297
Rwork	0.229
R-free	0.24930
RMSD bond length	0.010
RMSD bond angle	1.110
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	REFMAC
Refinement software	BUSTER (2.10.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.000	3.690
High resolution limit [Å]	3.500	3.500
Number of reflections	47093
<I/σ(I)>	9.4	1.9
Completeness [%]	99.3	98.4
Redundancy	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4	291	100 mM NaAcetate pH4 200 NaSCN 12-15% PEG4000 16% glycerol 3%DMSO