6NO6

K46bE&K114bD mutant ATP-grasp fold of Blastocystis hominis succinyl-CoA synthetase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-12-08
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.00000
Spacegroup name	P 21 21 2
Unit cell lengths	82.987, 97.543, 67.387
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	52.312 - 1.911
R-factor	0.1823
Rwork	0.181
R-free	0.20990
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX (dev_3318)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	55.420	55.420	1.960
High resolution limit [Å]	1.910	8.540	1.910
Rmerge	0.079	0.033	1.431
Number of reflections	43137
<I/σ(I)>	9.9
Completeness [%]	100.0	99.8	100
Redundancy	6.2	5.6	6.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		294	14% w/v PEG3350, 100 mM MES, pH 6.5, 160 mM ammonium tartrate, pH 8