6NO4

ADP bound to L227bF 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	2018-06-23
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.97949
Spacegroup name	P 21 21 2
Unit cell lengths	79.252, 95.787, 68.873
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	68.873 - 2.240
R-factor	0.2158
Rwork	0.214
R-free	0.25520
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]	79.260	79.260	2.300
High resolution limit [Å]	2.240	10.020	2.240
Rmerge	0.083	0.054	0.788
Number of reflections	25793
<I/σ(I)>	9.9
Completeness [%]	99.7	99.9	99.4
Redundancy	6.4	5.4	6.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		294	12% w/v PEG3350, 100 mM MES, pH 6.0, 180 mM ammonium tartrate, pH 8