1E7H

HUMAN SERUM ALBUMIN COMPLEXED WITH HEXADECANOIC ACID (PALMITIC 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	190.090, 38.750, 95.870
Unit cell angles	90.00, 104.96, 90.00

Refinement procedure

Resolution	12.000 - 2.430
R-factor	0.214
Rwork	0.214
R-free	0.27200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1bj5
RMSD bond length	0.006
RMSD bond angle	24.600 *
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	0.046	0.178
Number of reflections	24122
<I/σ(I)>	9.4	4
Completeness [%]	92.9	87.8
Redundancy	2.7	2.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	7		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)