1LLT

BIRCH POLLEN ALLERGEN BET V 1 MUTANT E45S

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	298
Detector technology	IMAGE PLATE
Collection date	1997-12-26
Detector	RIGAKU RAXIS
Wavelength(s)	1.5418
Spacegroup name	C 2 2 21
Unit cell lengths	31.870, 74.940, 120.000
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 3.100
Rwork	0.274
R-free	0.30100
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	23.900 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (0.5)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	3.120
High resolution limit [Å]	3.060	3.060
Rmerge	0.173 *	0.377 *
Total number of observations	11258 *
Number of reflections	2668
Completeness [%]	89.5	86.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	6.3 *	4 *	Spangfort, M.D., (1996) Proteins., 26. 358. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	5 (mg/ml)
2	1	drop	ammonium sulfate	2.0 (M)
3	1	drop	sodium citrate	100 (mM)	pH6.3
4	1	drop	sodium azide	0.01 (%)
5	1	reservoir	ammonium sulfate	2.0 (M)
6	1	reservoir	sodium citrate	100 (mM)	pH6.3