4IIS

Crystal structure of a glycosylated beta-1,3-glucanase (HEV B 2), An allergen from Hevea Brasiliensis (Space group P41)

Replaces:  3F55

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X6A
Synchrotron site	NSLS
Beamline	X6A
Temperature [K]	100
Detector technology	CCD
Collection date	2007-03-27
Detector	ADSC QUANTUM 210
Wavelength(s)	0.977
Spacegroup name	P 41
Unit cell lengths	150.118, 150.118, 77.331
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.471 - 2.668
R-factor	0.2022
Rwork	0.202
R-free	0.21960
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4hpg
RMSD bond length	0.011
RMSD bond angle	1.636
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: dev_1238))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.473	4.130	2.760
High resolution limit [Å]	2.610	3.700	2.610
Rmerge	0.089	0.060	0.629
Number of reflections	49364
<I/σ(I)>	10.9	15.7	1.9
Completeness [%]	94.1	94	93.9
Redundancy	3.6	3.6	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	291	0.2M trisodium citrate dihydrate, 0.1M sodium cacodylate, 30% (w/v) 2-propanol, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K