6Z8G

Crystal structure of VSG13 soaked in 0.5 M used to phase VSG13 to solve the structure.

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	2018-04-29
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9198
Spacegroup name	C 1 2 1
Unit cell lengths	74.148, 68.407, 157.759
Unit cell angles	90.00, 92.17, 90.00

Refinement procedure

Resolution	52.550 - 1.560
R-factor	0.226
Rwork	0.226
R-free	0.23300
Structure solution method	SAD
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	SHELXDE
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	52.550	1.620
High resolution limit [Å]	1.560	1.560
Number of reflections	109295	109295
<I/σ(I)>	18.77
Completeness [%]	97.2
Redundancy	4
CC(1/2)	0.983	0.983

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	296.15	Purified methylated VSG13 N-terminal domain was concentrated to 2.5 mg/ml in 10mM Tris.Cl pH 8.0. Crystals were grown at 23C by vapour diffusion using hanging drops formed from mixing a 1:1 volume ratio of the protein with an equilibration buffer consisting of 1.8-2.0M (NH4)2SO4, 100mM Tris.Cl pH 8.5.