1GXA

BOVINE BETA-LACTOGLOBULIN COMPLEXED WITH RETINOL AND PALMITIC ACID, TRIGONAL LATTICE Z

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SRS BEAMLINE PX9.5
Synchrotron site	SRS
Beamline	PX9.5
Temperature [K]	100
Detector technology	IMAGE PLATE
Detector	MAR scanner 345 mm plate
Spacegroup name	P 32 2 1
Unit cell lengths	53.636, 53.636, 112.027
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	25.000 - 2.350
R-factor	0.2186
R-free	0.30100 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1b0o
RMSD bond length	0.004
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]	25.000
High resolution limit [Å]	2.350
Rmerge	0.043	0.254
Total number of observations	123391 *
Number of reflections	8186
<I/σ(I)>	20.2
Completeness [%]	99.2	97.2
Redundancy	15.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	8 *	17 *	17 DEG C, 8MUL BLG-RET-PLM 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