5IFJ

Crystal structure of anti-gliadin 1002-1E01 Fab fragment in complex of peptide PLQPEQPFP

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	2015-07-14
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9763
Spacegroup name	P 21 21 21
Unit cell lengths	112.450, 141.280, 177.060
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	88.530 - 2.350
R-factor	0.2067
Rwork	0.205
R-free	0.24090
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ihz
RMSD bond length	0.004
RMSD bond angle	0.904
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	112.450	2.410
High resolution limit [Å]	2.350	2.350
Number of reflections	117865
<I/σ(I)>	15.9
Completeness [%]	100.0
Redundancy	13.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2M Ammonium Sulphate, 0.1M MES, pH 6.5, 20% PEG 8000