7UKA

YgiC from Escherichia coli K-12 in complex with ADP

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	2021-06-16
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	0.9537
Spacegroup name	P 31 2 1
Unit cell lengths	88.131, 88.131, 139.909
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.800 - 2.200
R-factor	0.2196
Rwork	0.218
R-free	0.25520
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 (1.18.2-3874)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	44.070	44.070	2.270
High resolution limit [Å]	2.200	9.070	2.200
Rmerge	0.067	0.030	2.468
Rmeas	0.069	0.031	2.529
Rpim	0.015	0.007	0.549
Total number of observations	666547	9928	57591
Number of reflections	32581	536	2769
<I/σ(I)>	25.9	92.1	1.4
Completeness [%]	100.0	99.2	100
Redundancy	20.5	18.5	20.8
CC(1/2)	1.000	1.000	0.597

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289.15	1.6 M magnesium sulfate and 100 mM MES pH 6.5