2ATM

Crystal structure of the recombinant allergen Ves v 2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX II BEAMLINE I711
Synchrotron site	MAX II
Beamline	I711
Temperature [K]	110
Collection date	2002-04-15
Spacegroup name	P 21 21 21
Unit cell lengths	42.674, 95.056, 100.326
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.660 - 2.000
R-factor	0.1878
Rwork	0.186
R-free	0.21500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	pdb code 1fcq
RMSD bond length	0.008
RMSD bond angle	1.200
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.088	0.477
Number of reflections	28373
<I/σ(I)>	17.8	3.6
Completeness [%]	99.8	98.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	295	PEG 4000, sodium acetate, ammonium sulfat, sodium chloride, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 295K
1	VAPOR DIFFUSION, HANGING DROP	4.6	295	PEG 4000, sodium acetate, ammonium sulfat, sodium chloride, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 295K