4HPG

Crystal structure of a glycosylated beta-1,3-glucanase (HEV B 2), an allergen from Hevea brasiliensis

Replaces:  3EM5

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 5ID-B
Synchrotron site	APS
Beamline	5ID-B
Temperature [K]	100
Detector technology	CCD
Collection date	2007-01-15
Detector	MAR CCD 165 mm
Wavelength(s)	0.9791
Spacegroup name	P 1 21 1
Unit cell lengths	87.176, 89.778, 101.542
Unit cell angles	90.00, 113.59, 90.00

Refinement procedure

Resolution	25.208 - 2.536
R-factor	0.1948
Rwork	0.193
R-free	0.24050
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2cyg
RMSD bond length	0.011
RMSD bond angle	1.485
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8.1_1168))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	25.500	25.210	2.640
High resolution limit [Å]	2.500	7.910	2.500
Rmerge	0.073	0.103	0.134
Number of reflections	48122
<I/σ(I)>	5.1	4.2	5.1
Completeness [%]	96.6	96.9	80.7
Redundancy	4	4	2.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	291	0.2M ammonium acetate, 0.1M trisodium citrate dihydrate, 30%(W/V) polyethylene glycol 4000., pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 291K