5GS2

Crystal structure of diabody complex with repebody and MBP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	80
Detector technology	CCD
Collection date	2013-11-06
Detector	ADSC QUANTUM 270
Wavelength(s)	0.97933
Spacegroup name	H 3 2
Unit cell lengths	278.835, 278.835, 132.322
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.107 - 3.592
R-factor	0.2221
Rwork	0.217
R-free	0.27760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3pgf 3rfj 4j8r
RMSD bond length	0.013
RMSD bond angle	1.681
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.730
High resolution limit [Å]	3.600	3.600
Number of reflections	22895
<I/σ(I)>	20.7
Completeness [%]	100.0
Redundancy	10.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.2	296	0.1 M Sodium acetate pH 4.2, 2 M Ammonium sulfate