7CUA

The structure of YoeB dimer from Staphylococcus aureus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-05-24
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.97852
Spacegroup name	C 2 2 21
Unit cell lengths	41.467, 91.449, 154.838
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.720 - 1.800
R-factor	0.2006
Rwork	0.199
R-free	0.22720
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6l8f
RMSD bond length	0.003
RMSD bond angle	0.628
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	77.450	1.860
High resolution limit [Å]	1.800	1.800
Rmerge	0.110	1.199
Rmeas	0.032	0.339
Rpim	0.114	1.247
Number of reflections	27885	2724
<I/σ(I)>	18.3
Completeness [%]	99.8
Redundancy	12.9
CC(1/2)	0.999	0.797

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	25% w/v polyethylene glycol 3350, 0.1 M citric acid pH 3.5, with 1/5 volume additive of 20% 1.0 M ammonium sulfate.