1QMR

BIRCH POLLEN ALLERGEN BET V 1 MUTANT N28T, K32Q, E45S, P108G

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	287
Detector technology	IMAGE PLATE
Collection date	1999-09-15
Detector	RIGAKU IMAGE PLATE
Spacegroup name	C 2 2 21
Unit cell lengths	32.347, 74.196, 119.548
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.150
R-factor	0.196
Rwork	0.196
R-free	0.23800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1bv1
RMSD bond length	0.006
RMSD bond angle	25.000 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS (0.5)
Refinement software	CNS (0.5)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.000	2.230
High resolution limit [Å]	2.150	2.150
Rmerge	0.040 *	0.165 *
Total number of observations	55800 *
Number of reflections	7832
<I/σ(I)>	34	9.5
Completeness [%]	96.6	78.5
Redundancy	5.6	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	6	25 *	pH 6.00

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	reservoir
2	1	drop	rBet v 1 mutant		dialyzed against 10 mM Tris-HCl
3	1	reservoir	ammonium sulfate	2.2 (M)
4	1	reservoir	sodium citrate	100 (mM)
5	1	reservoir	dioxane	1 (%)
6	1	reservoir	sodium azide	0.01 (%)