1E7F

HUMAN SERUM ALBUMIN COMPLEXED WITH DODECANOIC ACID (LAURIC ACID)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X31
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X31
Temperature [K]	298
Detector technology	IMAGE PLATE
Collection date	1998-10-15
Detector	MARRESEARCH
Spacegroup name	C 1 2 1
Unit cell lengths	188.500, 38.900, 95.770
Unit cell angles	90.00, 104.63, 90.00

Refinement procedure

Resolution	12.000 - 2.430
R-factor	0.225
Rwork	0.225
R-free	0.27600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1bj5
RMSD bond length	0.007
RMSD bond angle	24.800 *
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]	11.990	2.570
High resolution limit [Å]	2.440	2.440
Rmerge	0.038	0.226
Number of reflections	23657
<I/σ(I)>	9.5	3.1
Completeness [%]	92.7	83.6
Redundancy	1.5	1.5

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)