4WWI

Crystal structure of the C domain of staphylococcal protein A in complex with the Fc fragment of human IgG at 2.3 Angstrom resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2014-07-19
Detector	MAR CCD 165 mm
Wavelength(s)	1.000
Spacegroup name	C 1 2 1
Unit cell lengths	138.918, 88.116, 101.038
Unit cell angles	90.00, 90.95, 90.00

Refinement procedure

Resolution	41.177 - 2.307
R-factor	0.2113
Rwork	0.210
R-free	0.25060
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4npd 1fc1
RMSD bond length	0.003
RMSD bond angle	0.712
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX ((phenix.refine: dev_1664))
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.180	2.389
High resolution limit [Å]	2.307	2.307
Number of reflections	53496
<I/σ(I)>	19.5	1.5
Completeness [%]	99.5	94.81
Redundancy	7.5	6.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	298	NaOAc, ammonium sulfate, PEG 5K MME, glycerol