1FM4

CRYSTAL STRUCTURE OF THE BIRCH POLLEN ALLERGEN BET V 1L

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	298
Detector technology	IMAGE PLATE
Collection date	1999-04-17
Detector	MARRESEARCH
Spacegroup name	P 1 21 1
Unit cell lengths	33.130, 57.230, 38.650
Unit cell angles	90.00, 91.94, 90.00

Refinement procedure

Resolution	30.000 * - 1.970
Rwork	0.197
R-free	0.24000
RMSD bond length	0.009
RMSD bond angle	1.330 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.070
High resolution limit [Å]	1.970	1.970
Rmerge	0.117	0.371
Total number of observations	32201 *
Number of reflections	9670
<I/σ(I)>	10.2
Completeness [%]	95.4	59.6
Redundancy	3.3	1.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	298	100mM sodium acetate, 20mM ammonium sulphate, 30%Peg-MME 2000, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	sodium deoxycholate	0.5 (%(w/v))
2	1	reservoir	sodium acetate	100 (mM)	pH4.6
3	1	reservoir	ammonium sulfate	20 (mM)
4	1	reservoir	PEG2000 MME	30 (%(v/v))