1HA2

Human Serum Albumin Complexed With Myristic Acid and the S-(-) enantiomer of warfarin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X11
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X11
Temperature [K]	298
Detector technology	CCD
Collection date	2000-07-15
Detector	MARRESEARCH
Spacegroup name	C 1 2 1
Unit cell lengths	187.541, 38.774, 95.795
Unit cell angles	90.00, 105.38, 90.00

Refinement procedure

Resolution	29.450 - 2.500
R-factor	0.201
Rwork	0.201
R-free	0.24700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1e7g
RMSD bond length	0.007
RMSD bond angle	19.100 *
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	CCP4
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.640
High resolution limit [Å]	2.500	2.500
Rmerge	0.065	0.314
Number of reflections	23090
<I/σ(I)>	4.4	1.8
Completeness [%]	98.4	98.2 *
Redundancy	1.9	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	7.5 *		Curry, S., (1998) Nat. 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)	pH7.5