5U66

Modified single helix from the B-domain of protein A bound to IgG1 Fc

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL7-1
Synchrotron site	SSRL
Beamline	BL7-1
Temperature [K]	80
Detector technology	CCD
Collection date	1997-05-15
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.98
Spacegroup name	C 2 2 21
Unit cell lengths	49.165, 126.812, 91.927
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.020 - 1.700
R-factor	0.164
Rwork	0.157
R-free	0.22700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5u52
RMSD bond length	0.019
RMSD bond angle	1.964
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC (5.8.0155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.000	1.730
High resolution limit [Å]	1.700	1.700
Rmerge		0.229
Number of reflections	29486
<I/σ(I)>	29.8	4.7
Completeness [%]	96.4	93.2
Redundancy	5.7	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.2	293	20% PEG 4000, 0.1M HEPES pH 7.2, 5mg/mL protein concentration.
1	VAPOR DIFFUSION, SITTING DROP	7.2	293	20% PEG 4000, 0.1M HEPES pH 7.2, 5mg/mL protein concentration.