5VB0

Crystal structure of fosfomycin resistance protein FosA3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-07-17
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.0332
Spacegroup name	P 41 2 2
Unit cell lengths	87.608, 87.608, 357.038
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.753 - 2.689
R-factor	0.2071
Rwork	0.205
R-free	0.24910
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5v3d
RMSD bond length	0.006
RMSD bond angle	0.973
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.753	29.750	2.800
High resolution limit [Å]	2.689	9.690	2.690
Rmerge	0.081	0.030	0.647
Rmeas	0.085	0.032	0.683
Rpim	0.028	0.011	0.218
Number of reflections	39913
<I/σ(I)>	20.4
Completeness [%]	99.9	96.8	99.7
Redundancy	9.4	7.8	9.7
CC(1/2)	0.999	0.999	0.958

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.95	298	FosA3, protein was concentrated to 9mg/ml and combined with 6mM fosfomycin and 6mM MnCl2. The solution was centrifuged (13500 rpm for 5 minutes) and 250nL of the supernatant was combined with 250nL of mother liquor (7% ethylene glycol, 7% PEG6000, 0.1M HEPES pH 6.95) in sitting drops