7R8P

Open form of SAOUHSC_02373 in complex with ADP, Mg2+ and Na+

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-10-03
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9537
Spacegroup name	P 21 21 21
Unit cell lengths	48.258, 70.581, 109.773
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.450 - 1.370
R-factor	0.1915
Rwork	0.190
R-free	0.21500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2 ideal alpha helices of 10aa
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	Fragon (0.2.4)
Refinement software	PHENIX (1.18.2-3874)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	39.840	39.840	1.390
High resolution limit [Å]	1.370	7.500	1.370
Rmerge	0.060	0.038	1.654
Rmeas	0.062	0.040	1.728
Rpim	0.017	0.011	0.495
Total number of observations	1057862	6595	46612
Number of reflections	79614	574	3889
<I/σ(I)>	18	52.8	1.6
Completeness [%]	100.0	98.6	100
Redundancy	13.3	11.5	12
CC(1/2)	0.999	0.999	0.643

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289.15	200 mM sodium acetate trihydrate, 100 mM Tris-HCl pH 8.5, 30% PEG 4000