1HA5

Structural features of a zinc-binding site in the superantigen streptococcal pyrogenic exotoxin A (SpeA1): implications for MHC class II recognition.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X11
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X11
Temperature [K]	100
Detector technology	CCD
Detector	MARRESEARCH
Spacegroup name	P 21 21 2
Unit cell lengths	126.946, 101.320, 82.019
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.600 - 2.820
R-factor	0.214
Rwork	0.214
R-free	0.28340
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1b1z
RMSD bond length	0.007
RMSD bond angle	1.300
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.900
High resolution limit [Å]	2.800	2.800
Rmerge	0.108	0.285
Number of reflections	26185
<I/σ(I)>	6.4	5.3
Completeness [%]	95.8	61.3
Redundancy	5.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6.5		pH 6.50