1E7I

HUMAN SERUM ALBUMIN COMPLEXED WITH OCTADECANOIC ACID (STEARIC ACID)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SRS BEAMLINE PX9.6
Synchrotron site	SRS
Beamline	PX9.6
Temperature [K]	298
Detector technology	CCD
Collection date	1999-06-15
Detector	ADSC QUANTUM
Spacegroup name	C 1 2 1
Unit cell lengths	189.600, 38.840, 95.980
Unit cell angles	90.00, 105.49, 90.00

Refinement procedure

Resolution	40.000 - 2.700
R-factor	0.204
Rwork	0.204
R-free	0.25800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1bj5
RMSD bond length	0.007
RMSD bond angle	26.000 *
Data reduction software	MOSFLM
Data scaling software	CCP4
Phasing software	X-PLOR (3.851)
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.850
High resolution limit [Å]	2.700	2.700
Rmerge	0.090	0.248
Number of reflections	17689
<I/σ(I)>	4.5	2.4
Completeness [%]	93.7	96.8 *
Redundancy	2.5	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	7.5 *		Curry, S., (1998) Nature Struct. Biol., 5, 827. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	100 (mg/ml)
2	1	reservoir	PEG3350	25-30 (%(w/v))
3	1	reservoir	potassium phosphate	50 (mM)