1HN2

CRYSTAL STRUCTURE OF BOVINE OBP COMPLEXED WITH AMINOANTHRACENE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	293
Detector technology	IMAGE PLATE
Collection date	2000-09-28
Detector	MARRESEARCH
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	55.589, 65.091, 42.249
Unit cell angles	90.00, 98.29, 90.00

Refinement procedure

Resolution	10.000 * - 1.800
R-factor	0.21 *
Rwork	0.202
R-free	0.23700 *
Structure solution method	MR
Starting model (for MR)	1obp
RMSD bond length	0.013
RMSD bond angle	1.480 *
Data reduction software	DENZO
Data scaling software	CCP4 ((SCALA))
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	18.000 *	1.890
High resolution limit [Å]	1.800	1.800
Rmerge	0.052 *	0.400 *
Number of reflections	26203
<I/σ(I)>	8.5	2.1
Completeness [%]	92.0	85.4
Redundancy	2.8	2.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Microdialysis *	5.4 *	4 *	dialysys against 38% ethanol in 25 mM sodium Citrate at 4 degrees, pH 5.7

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	protein	10 (mg/ml)
2	1	2	ethanol	28-32 (%)
3	1	2	citrate	50 (mM)	pH5.4