6X01

Crystal structure of the GltPh V216C-A391C mutant cross-linked in outward-facing state

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-05-06
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9537
Spacegroup name	P 61
Unit cell lengths	113.985, 113.985, 321.705
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.840 - 3.650
R-factor	0.2733
Rwork	0.272
R-free	0.30860
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2nwx
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	Auto-Rickshaw
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.790	3.900
High resolution limit [Å]	3.650	3.650
Rmerge	0.128	3.559
Number of reflections	26118	4731
<I/σ(I)>	14	1.2
Completeness [%]	100.0
Redundancy	21.6
CC(1/2)	0.999	0.851

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277.15	15/23% PEG 1000, 100mM Lithium sulfate, 50mM citric acid, 50mM Disodium phosphate