1MOE

The three-dimensional structure of an engineered scFv T84.66 dimer or diabody in VL to VH linkage.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	110
Detector technology	IMAGE PLATE
Collection date	1999-08-25
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 41 21 2
Unit cell lengths	64.314, 64.314, 247.930
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.600
R-factor	0.243
Rwork	0.213
R-free	0.29800 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1gg2
RMSD bond length	0.007
RMSD bond angle	27.100 *
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.590
High resolution limit [Å]	2.500	2.500
Rmerge	0.075 *	0.280 *
Number of reflections	15066 *	819 *
<I/σ(I)>	18.8	1.5
Completeness [%]	86.2 *	44.2 *
Redundancy	52.4 *	18.5 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5 *	294	sodium chloride, HEPES, ammonium sulfate, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 294K
1	VAPOR DIFFUSION, HANGING DROP	7.5 *	294	sodium chloride, HEPES, ammonium sulfate, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 294K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	15 (mg/ml)
2	1	reservoir	HEPES	0.1 (M)	pH7.5
3	1	reservoir		0.1 (M)
4	1	reservoir	ammonium sulfate	1.6 (M)