6NO1

ADP bound to K46bE mutant ATP-grasp fold of Blastocystis hominis succinyl-CoA synthetase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-02-04
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.97949
Spacegroup name	P 21 21 2
Unit cell lengths	80.129, 96.681, 69.235
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	69.235 - 2.440
R-factor	0.2659
Rwork	0.265
R-free	0.28880
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX (dev_3381)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	80.120	80.120	2.500
High resolution limit [Å]	2.440	10.910	2.440
Rmerge	0.107	0.054	0.888
Number of reflections	20700
<I/σ(I)>	8
Completeness [%]	100.0	99.9	100
Redundancy	6.2	5.2	6.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		294	15% w/v PEG3350, 100 mM MES, pH 5.9, 125 mM ammonium tartrate, pH 8