4MP8

Staphyloferrin B precursor biosynthetic enzyme SbnB bound to malonate and NAD+

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL7-1
Synchrotron site	SSRL
Beamline	BL7-1
Temperature [K]	100
Detector technology	CCD
Collection date	2011-01-16
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.00000
Spacegroup name	P 41 21 2
Unit cell lengths	62.402, 62.402, 157.687
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	58.000 - 1.850
R-factor	0.1862
Rwork	0.184
R-free	0.22380
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.525
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	58.000
High resolution limit [Å]	1.850	1.840
Number of reflections	27690
Completeness [%]	99.4	96.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	2.4 M sodium malonate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K