3RQT

1.5 Angstrom Crystal Structure of the Complex of Ligand Binding Component of ABC-type Import System from Staphylococcus aureus with Nickel and two Histidines

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2011-03-17
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97872
Spacegroup name	P 21 21 21
Unit cell lengths	61.941, 66.759, 115.492
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.910 - 1.500
R-factor	0.14259
Rwork	0.141
R-free	0.16971
Structure solution method	SAD
RMSD bond length	0.012
RMSD bond angle	1.588
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	HKL-3000
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.530
High resolution limit [Å]	1.500	1.500
Rmerge	0.093	0.524
Number of reflections	77770
<I/σ(I)>	21.5	3
Completeness [%]	99.9	100
Redundancy	4.9	4.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	Protein: 7.5mG/mL, 0.5M Sodium chloride, 0.01M Tris, pH 8.3. Screen: Classics II (D8), 0.1M HEPES, pH 7.5, 25% (w/v) PEG 3350, VAPOR DIFFUSION, SITTING DROP, temperature 295K