5D84

Staphyloferrin B precursor biosynthetic enzyme SbnA bound to PLP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	CCD
Collection date	2010-12-15
Detector	RAYONIX MX300HE
Wavelength(s)	0.97952
Spacegroup name	P 21 21 2
Unit cell lengths	56.080, 115.828, 45.138
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.450
R-factor	0.1265
Rwork	0.124
R-free	0.17530
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.515
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX (2.2.4)
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.500
High resolution limit [Å]	1.450	3.120	1.450
Rmerge	0.055	0.028	0.413
Total number of observations	302661
Number of reflections	51631
<I/σ(I)>	13
Completeness [%]	97.3	97.5	94.7
Redundancy	5.9	6	5.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	0.1 M Tris, pH 8.5, 0.2 M MgCl2, 20-25% PEG 3350