6Z79

Variant Surface Glycoprotein VSGsur, I3C ("Magic Triangle") derivative used for phasing of the structure and subsequently as a model for molecular replacement of native, mutants, and drug soaks.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.2
Synchrotron site	BESSY
Beamline	14.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-05-03
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	2.066
Spacegroup name	P 21 21 2
Unit cell lengths	46.955, 70.893, 129.652
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.150 - 1.920
R-factor	0.235
Rwork	0.234
R-free	0.25280
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	0.994
Phasing software	SHELXDE
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.150	1.989
High resolution limit [Å]	1.920	1.920
Number of reflections	27999	845
<I/σ(I)>	13.99	0.68
Completeness [%]	82.6
Redundancy	18.1
CC(1/2)	0.995	0.380

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	277	19-24 % PEG 400 100 mM TEA/HCl pH=7.5 10 % (v/v) Isopropanol