6GER

Wheat b-amylase, a clinically relevant food allergen

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ELETTRA BEAMLINE 5.2R
Synchrotron site	ELETTRA
Beamline	5.2R
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-09-14
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.9717
Spacegroup name	P 43
Unit cell lengths	93.870, 93.870, 65.860
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.062 - 2.000
Rwork	0.158
R-free	0.18860
RMSD bond length	0.003
RMSD bond angle	0.542
Data reduction software	iMOSFLM
Data scaling software	SCALA
Phasing software	PHENIX
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	27.062	2.072
High resolution limit [Å]	2.000	2.000
Rmerge	0.120	0.286
Rmeas	0.139	0.286
Rpim	0.069	0.168
Number of reflections	38550	3721
<I/σ(I)>	6.93	3.76
Completeness [%]	92.3	96.95
Redundancy	3.8	3.8
CC(1/2)	0.986	0.906

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	293.15	25% PEG 3350 100mM bis-Tris pH 5