7R8Q

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Synchrotron site	Australian Synchrotron
Beamline	MX1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-07-07
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9537
Spacegroup name	C 1 2 1
Unit cell lengths	145.868, 82.812, 107.782
Unit cell angles	90.00, 131.06, 90.00

Refinement procedure

Resolution	36.890 - 2.000
R-factor	0.1928
Rwork	0.191
R-free	0.21990
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7r8p
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.18.2-3874)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	36.890	36.890	2.050
High resolution limit [Å]	2.000	9.170	2.000
Rmerge	0.137	0.049	1.492
Rmeas	0.148	0.053	1.621
Rpim	0.056	0.020	0.628
Total number of observations		4640	29453
Number of reflections	64488	702	4467
<I/σ(I)>	9	27.8	1.5
Completeness [%]	98.7	98.2	97.9
Redundancy	7	6.6	6.6
CC(1/2)	0.997	0.998	0.645

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289.15	1.6 M sodium citrate tribasic dihydrate pH 6.5