5GRY

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	P 21 21 21
Unit cell lengths	38.016, 114.049, 128.474
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.716 - 1.639
R-factor	0.1991
Rwork	0.198
R-free	0.23100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5gs1
RMSD bond length	0.006
RMSD bond angle	0.893
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	1.660
High resolution limit [Å]	1.600	1.600
Number of reflections	68771
<I/σ(I)>	34.5
Completeness [%]	99.6
Redundancy	6.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	3.5	296	0.1 M Citric acid pH 3.5, 1.0 M Sodium chloride, 30% 2-methyl-2,4-pentanediol