7UK6

Apo form of YjfC from Escherichia coli K-12

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	2020-07-07
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9537
Spacegroup name	P 21 21 21
Unit cell lengths	66.323, 70.760, 112.041
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.620 - 1.900
R-factor	0.1707
Rwork	0.169
R-free	0.19720
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2iob
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]	44.420	44.420	1.940
High resolution limit [Å]	1.900	9.110	1.900
Rmerge	0.088	0.030	1.590
Rmeas	0.092	0.031	1.650
Rpim	0.025	0.009	0.439
Total number of observations	559446	5114	37125
Number of reflections	42317	460	2665
<I/σ(I)>	15.5	47.5	1.9
Completeness [%]	100.0	99.3	100
Redundancy	13.2	11.1	13.9
CC(1/2)	0.999	1.000	0.734

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289.15	200 mM lithium sulfate monohydrate, 0.1 M Tris-HCl pH 8.5, 20% PEG 4000