5GRZ

Crystal structure of disulfide-bonded diabody

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	2013-10-16
Detector	ADSC QUANTUM 270
Wavelength(s)	0.97934
Spacegroup name	C 1 2 1
Unit cell lengths	164.841, 54.093, 54.725
Unit cell angles	90.00, 103.41, 90.00

Refinement procedure

Resolution	28.957 - 2.700
R-factor	0.2493
Rwork	0.246
R-free	0.30120
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5gs1
RMSD bond length	0.011
RMSD bond angle	1.175
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	2.800
High resolution limit [Å]	2.700	2.700
Number of reflections	13288
<I/σ(I)>	14.8
Completeness [%]	98.7
Redundancy	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	296	0.1 M Tris HCl pH 8.5, 0.15 M Magnesium chloride, 32% PEG 3350