6NO5

ADP bound to 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	2018-11-04
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.000
Spacegroup name	P 1 21 1
Unit cell lengths	89.052, 82.494, 91.248
Unit cell angles	90.00, 118.92, 90.00

Refinement procedure

Resolution	36.648 - 2.069
R-factor	0.1957
Rwork	0.194
R-free	0.22160
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX (dev_3311)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.610	45.610	2.120
High resolution limit [Å]	2.069	9.260	2.070
Rmerge	0.103	0.140	0.575
Number of reflections	70552
<I/σ(I)>	6.5
Completeness [%]	99.9	99	99.8
Redundancy	3.3	3.2	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		294	15% w/v PEG3350, 100 mM MES, pH 6.6, 140 mM ammonium tartrate, pH 8