4W68

Cytoplasmically Produced Homodimeric Single Domain Antibody (sdAb) C22A/C99V variant against Staphylococcal enterotoxin B (SEB)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER AXS MICROSTAR-H
Temperature [K]	150
Detector technology	CCD
Collection date	2013-09-04
Detector	BRUKER SMART 6000
Wavelength(s)	1.54
Spacegroup name	C 2 2 21
Unit cell lengths	66.893, 72.044, 116.103
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	58.050 - 2.000
R-factor	0.2013
Rwork	0.199
R-free	0.24220
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4tyu
RMSD bond length	0.009
RMSD bond angle	1.208
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	58.050	2.090
High resolution limit [Å]	2.000	2.000
Rmerge	0.104	0.356
Number of reflections	18197
<I/σ(I)>	16.86	3.32
Completeness [%]	94.3	71.8
Redundancy	10.57	2.29

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	290	0.1 M Tris pH 8.0, 1.6 M Ammonium Sulfate [Hampton Research Ammonium Sulfate Grid Screen, condition B5]