1GX9

BOVINE BETA-LACTOGLOBULIN COMPLEXED WITH RETINOIC ACID, TRIGONAL LATTICE Z

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	ENRAF-NONIUS FR571
Temperature [K]	100
Detector technology	CCD
Detector	RAYONIX MX340-HS
Spacegroup name	P 32 2 1
Unit cell lengths	53.660, 53.660, 111.225
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	15.000 - 2.340
R-factor	0.298 *
R-free	0.22700 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1b0o
RMSD bond length	0.005 *
RMSD bond angle	0.018
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHELX
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.000
High resolution limit [Å]	2.340
Rmerge	0.057	0.250
Total number of observations	138409 *
Number of reflections	8213
<I/σ(I)>	23.3
Completeness [%]	99.6	100
Redundancy	16.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	8 *	17 *	17 DEG C, 8MUL BLG-RET COMPLEX 20MM TRIS, PH 8 + 8MUL NA CITRATE 1.25M, 0.1M HEPES, PH7.3, PER DROP

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	Tris	20 (mM)	pH8.0
2	1	drop	protein	20 (mg/ml)
3	1	reservoir	sodium citrate	1.25 (M)
4	1	reservoir	HEPES	0.1 (M)	pH7.3