1N67

Clumping Factor A from Staphylococcus aureus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X9B
Synchrotron site	NSLS
Beamline	X9B
Temperature [K]	180
Detector technology	CCD
Collection date	1999-08-05
Detector	MARRESEARCH
Wavelength(s)	0.9176
Spacegroup name	P 21 21 21
Unit cell lengths	38.700, 80.540, 113.890
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.280 - 1.900
R-factor	0.206
Rwork	0.206
R-free	0.25670 *
Structure solution method	MIR
RMSD bond length	0.005
RMSD bond angle	1.370 *
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	24.280	1.970
High resolution limit [Å]	1.900	1.900
Rmerge	0.044	0.284
Total number of observations	148963 *
Number of reflections	28604
<I/σ(I)>	15.7	5
Completeness [%]	99.0 *	95.2
Redundancy	5.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	295.5	Sodium citrate, Succinic acid, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 22.5K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein/peptide mixture	14 (mg/ml)
2	1	reservoir	ammonium acetate	200 (mM)
3	1	reservoir	sodium citrate dihydrate	100 (mM)	pH5.6
4	1	reservoir	PEG4000	26 (%(w/v))