5IK3

Crystal structure of anti-gliadin 1002-1E03 Fab fragment

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-09-12
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.07192
Spacegroup name	C 1 2 1
Unit cell lengths	77.280, 138.810, 91.720
Unit cell angles	90.00, 108.20, 90.00

Refinement procedure

Resolution	69.400 - 1.650
R-factor	0.1977
Rwork	0.196
R-free	0.23610
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ijk
RMSD bond length	0.012
RMSD bond angle	1.327
Data reduction software	xia
Refinement software	PHENIX ((1.10.1_2155))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	69.400	1.690
High resolution limit [Å]	1.650	1.650
Number of reflections	109856
<I/σ(I)>	14.9
Completeness [%]	99.9
Redundancy	13.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2M Ammonium sulfate, 30% PEK 8000