5GRU

Structure of mono-specific 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)	0.97933
Spacegroup name	C 1 2 1
Unit cell lengths	197.267, 50.823, 105.873
Unit cell angles	90.00, 111.28, 90.00

Refinement procedure

Resolution	33.779 - 1.955
R-factor	0.1986
Rwork	0.197
R-free	0.23680
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ezv 3pgf
RMSD bond length	0.008
RMSD bond angle	0.970
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	2.020
High resolution limit [Å]	1.950	1.950
Number of reflections	70116
<I/σ(I)>	14.2
Completeness [%]	98.9
Redundancy	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	296	0.1 M Sodium citrate tribasic pH 5.6, 27.5% PEG 12000, 0.1 M Sodium iodide