7UK7

YjfC from Escherichia coli K-12 in complex with ADP, Mg2+ and SO4

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	2020-07-17
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	0.9537
Spacegroup name	P 21 21 21
Unit cell lengths	66.010, 68.885, 114.309
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.990 - 1.950
R-factor	0.16
Rwork	0.158
R-free	0.19170
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7uk6
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.1.2-3874)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	43.990	43.990	2.000
High resolution limit [Å]	1.950	8.940	1.950
Rmerge	0.103	0.026	0.836
Rmeas	0.107	0.027	0.871
Rpim	0.029	0.008	0.242
Total number of observations	525889	5902	32934
Number of reflections	38719	482	2637
<I/σ(I)>	20.1	72.1	3.2
Completeness [%]	99.9	99.5	98.5
Redundancy	13.6	12.2	12.5
CC(1/2)	0.999	1.000	0.847

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289.15	200 mM lithium sulfate monohydrate, 100 mM Tris-HCl pH 8.5, and 30% PEG 4000