4JH8

Crystal Structure of FosB from Bacillus cereus with Zinc and L-Cysteine-Fosfomycin Ternary Complex

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	2012-06-07
Detector	RAYONIX MX-300
Wavelength(s)	1.078
Spacegroup name	P 21 21 21
Unit cell lengths	64.310, 68.535, 69.854
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.920 - 1.410
R-factor	0.1391
Rwork	0.137
R-free	0.17410
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.023
RMSD bond angle	2.301
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.430
High resolution limit [Å]	1.410	3.830	1.410
Rmerge	0.048	0.026	0.562
Number of reflections	59747
<I/σ(I)>	11.6
Completeness [%]	99.1	98.7	97.6
Redundancy	7.3	6.9	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