4DNS

Crystal structure of Bermuda grass isoallergen BG60 provides insight into the various cross-allergenicity of the pollen group 4 allergens

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-6B
Synchrotron site	Photon Factory
Beamline	BL-6B
Temperature [K]	100
Detector technology	IMAGE PLATE
Detector	RIGAKU RAXIS IIC
Wavelength(s)	1.0
Spacegroup name	P 43 21 2
Unit cell lengths	86.043, 86.043, 309.432
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.150
R-factor	0.22
Rwork	0.180
R-free	0.22000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3d2h
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.230
High resolution limit [Å]	2.150	2.150
Rmerge	0.060	0.310
Number of reflections	63094
<I/σ(I)>	21.6	6.1
Completeness [%]	98.2	99
Redundancy	8.7	5.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	295	30% PEG 4000, 25% isopropanol, 0.1 M sodium citrate buffer, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 295K
1	VAPOR DIFFUSION, HANGING DROP	5.6	295	30% PEG 4000, 25% isopropanol, 0.1 M sodium citrate buffer, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 295K