1BJ7

BOVINE LIPOCALIN ALLERGEN BOS D 2

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	293
Detector technology	IMAGE PLATE
Collection date	1998-01-08
Detector	RIGAKU
Spacegroup name	P 21 21 21
Unit cell lengths	37.000, 55.600, 77.200
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 1.800
R-factor	0.184
Rwork	0.184
R-free	0.23200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1mup
RMSD bond length	0.009
RMSD bond angle	27.700 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR (3.8)
Refinement software	X-PLOR (3.8)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	99.000	1.860
High resolution limit [Å]	1.800	1.800
Rmerge	0.066	0.542
Total number of observations	41606 *
Number of reflections	14230 *
Completeness [%]	92.3	60.3
Redundancy	2.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	4		Rautiainen, J., (1998) Biochem. Biophys. Res. Commun., 247, 746. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	50 (mg/ml)
2	1	reservoir	PEG6000	10 (%(w/w))
3	1	reservoir	sodium acetate	0.1 (M)