1E7E

HUMAN SERUM ALBUMIN COMPLEXED WITH DECANOIC ACID (CAPRIC 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	1999-04-15
Detector	ADSC QUANTUM
Spacegroup name	C 1 2 1
Unit cell lengths	186.780, 39.190, 95.340
Unit cell angles	90.00, 105.15, 90.00

Refinement procedure

Resolution	40.000 - 2.500
R-factor	0.22
Rwork	0.220
R-free	0.27100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1bj5
RMSD bond length	0.006
RMSD bond angle	24.000 *
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]	37.530	2.640
High resolution limit [Å]	2.500	2.500
Rmerge	0.070	0.273
Number of reflections	22984
<I/σ(I)>	9.44	4
Completeness [%]	97.5	100
Redundancy	3.2	3.2

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)