4OFQ

Structure of the C-terminal domain of the Streptococcus pyogenes antigen I/II-family protein AspA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER AXS MICROSTAR-H
Temperature [K]	100
Detector technology	CCD
Collection date	2013-01-21
Detector	Bruker Platinum 135
Wavelength(s)	1.5417
Spacegroup name	P 21 21 2
Unit cell lengths	99.002, 104.979, 74.442
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.669 - 1.800
R-factor	0.1839
Rwork	0.181
R-free	0.23100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3OPU and 2WOY
RMSD bond length	0.007
RMSD bond angle	1.045
Data reduction software	SAINT
Data scaling software	SADABS
Phasing software	MOLREP
Refinement software	PHENIX ((phenix.refine: 1.8.2_1309))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	31.670	1.863
High resolution limit [Å]	1.798	1.798
Rmerge	0.062	0.411
Number of reflections	70996
<I/σ(I)>		3.2
Completeness [%]	97.6	82.7
Redundancy	10.8	4.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	291	20% glycerol ethoxylate, 10% tetrahydrofuran, 0.1 M Tris-HCl, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K