7TB0

E. faecium MurAA in complex with fosfomycin and UNAG

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2018-08-19
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97856
Spacegroup name	P 1
Unit cell lengths	72.030, 96.810, 96.821
Unit cell angles	115.06, 99.15, 103.88

Refinement procedure

Resolution	47.820 - 1.650
R-factor	0.11788
Rwork	0.116
R-free	0.15752
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3r38
RMSD bond length	0.015
RMSD bond angle	1.705
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.990	1.709
High resolution limit [Å]	1.650	1.650
Rmerge	0.101	0.828
Rmeas	0.117	0.956
Number of reflections	257217	25318
<I/σ(I)>	9.09	1.94
Completeness [%]	97.3	95.68
Redundancy	4	4
CC(1/2)	0.995	0.635

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4	293	2.5mM UNAG and 2.5mM fosfomycin in the buffer containing 0.22 M Potassium sodium tartrate tetrahydrate, 26% w/v Polyethylene glycol 3,350, pH 7.4