4F1Z

Crystal structures reveal the multi-ligand binding mechanism of the Staphylococcus aureus ClfB

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2009-11-01
Detector	ADSC QUANTUM 315
Wavelength(s)	0.979
Spacegroup name	P 31 2 1
Unit cell lengths	70.331, 70.331, 177.157
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.188 - 2.300
R-factor	0.2477
Rwork	0.247
R-free	0.25110
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4f27
RMSD bond length	0.008
RMSD bond angle	1.167
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASES
Refinement software	PHENIX ((phenix.refine: 1.5_2))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.188	3.931	2.163
High resolution limit [Å]	2.055	3.120	2.055
Number of reflections	18865
Completeness [%]	100.0	97	5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	291	0.1M sodium citrate tribasic dehydrate, 20% 2-propanol, 20% PEG 4000, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 291K