5GRX

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	2013-09-14
Detector	ADSC QUANTUM 270
Wavelength(s)	0.97934
Spacegroup name	P 21 21 21
Unit cell lengths	37.031, 99.608, 128.820
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.103 - 2.002
R-factor	0.1697
Rwork	0.167
R-free	0.21480
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5gs1
RMSD bond length	0.006
RMSD bond angle	0.904
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	2.070
High resolution limit [Å]	2.000	2.000
Number of reflections	31720
<I/σ(I)>	19
Completeness [%]	96.3
Redundancy	5.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	3.5	296	0.1 M Citric acid pH 3.5, 22% PEG 10000