4JH3

Crystal Structure of FosB from Bacillus cereus with Zinc and Fosfomycin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2011-12-19
Detector	RAYONIX MX-300
Wavelength(s)	1.28
Spacegroup name	P 21 21 21
Unit cell lengths	64.342, 68.271, 69.896
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 1.500
R-factor	0.1258
Rwork	0.124
R-free	0.16830
Structure solution method	SAD
RMSD bond length	0.021
RMSD bond angle	1.956
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	SHELXS
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	1.550
High resolution limit [Å]	1.500	3.230	1.500
Rmerge	0.095	0.054	0.603
Number of reflections	49820
<I/σ(I)>	9.6
Completeness [%]	98.8	98.5	94.2
Redundancy	9.3	9.4	7.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	298	PEG 3350, Magnesium formate , pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K