1DEE

Structure of S. aureus protein A bound to a human IgM Fab

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	298
Detector technology	IMAGE PLATE
Collection date	1998-07-04
Detector	MARRESEARCH
Spacegroup name	P 1 21 1
Unit cell lengths	68.520, 78.910, 163.240
Unit cell angles	90.00, 100.71, 90.00

Refinement procedure

Resolution	10.000 - 2.700
R-factor	0.225
Rwork	0.217
R-free	0.28100
RMSD bond length	0.008 *
RMSD bond angle	1.590 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.800
High resolution limit [Å]	2.700	2.700
Rmerge	0.065	0.370
Number of reflections	46831
Completeness [%]	87.0 *	77

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	MPEG 5000, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	MPEG 5000, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	5 (mg/ml)
2	1	reservoir	mPEG5000	21-24 (%(w/w))
3	1	reservoir	sodium cacodylate	100 (mM)