6WZB

Crystal structure of the GltPh V216C-G388C mutant cross-linked with divalent mercury

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	2017-06-07
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9537
Spacegroup name	C 2 2 21
Unit cell lengths	112.111, 204.573, 207.372
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.311 - 3.450
R-factor	0.2343
Rwork	0.233
R-free	0.26770
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3kbc
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	Auto-Rickshaw
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.311	3.640
High resolution limit [Å]	3.450	3.450
Rmerge	0.155	1.518
Number of reflections	31780	4587
<I/σ(I)>	10.3	2.2
Completeness [%]	100.0
Redundancy	13.8
CC(1/2)	0.997	0.782

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293.15	30/35% PEG 400, 0.2M magnesium chloride, 0.1M potassium chloride, 0.025M sodium citrate