6NO3

ADP bound to V113bL 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	2018-05-19
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.97949
Spacegroup name	C 2 2 21
Unit cell lengths	91.380, 117.345, 127.836
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	63.918 - 1.939
R-factor	0.1948
Rwork	0.194
R-free	0.21660
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]	63.950	63.950	1.990
High resolution limit [Å]	1.939	8.680	1.940
Rmerge	0.066	0.037	0.873
Number of reflections	51125
<I/σ(I)>	11.8
Completeness [%]	100.0	99.9	100
Redundancy	6.4	5.9	6.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		294	10% w/v PEG3350, 100 mM MES, pH 6.0, 200 mM ammonium tartrate, pH 8