5FEF

Crystal structure of the allergen profilin (Zea m 12)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	101
Detector technology	IMAGE PLATE
Collection date	2014-05-22
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5416
Spacegroup name	P 43 21 2
Unit cell lengths	58.531, 58.531, 135.195
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.250 - 2.200
R-factor	0.2197
Rwork	0.218
R-free	0.24480
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5fds
RMSD bond length	0.008
RMSD bond angle	1.207
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.250	2.320
High resolution limit [Å]	2.200	2.200
Rmerge	0.050	0.480
Number of reflections	12462
<I/σ(I)>	17.2	3.2
Completeness [%]	99.2	98.2
Redundancy	4.5	4.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9	291	0.1 M TRIS-HCL, pH 9.0, 1.6 M Ammonium Sulfate