5IJK

Crystal structure of anti-gliadin 1002-1E03 Fab fragment in complex of peptide PLQPEQPFP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-07-20
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.972
Spacegroup name	P 4 21 2
Unit cell lengths	144.639, 144.639, 106.678
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.290 - 2.500
R-factor	0.212
Rwork	0.209
R-free	0.26500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ihz 5it2
RMSD bond length	0.007
RMSD bond angle	1.174
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.290	2.600
High resolution limit [Å]	2.500	2.500
Number of reflections	39676
<I/σ(I)>	21.5
Completeness [%]	99.9
Redundancy	8.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	293	2.256M (NH4)2SO4, 0.1M Citrate, pH 5.0