2I2Z

Human serum albumin complexed with myristate and aspirin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	ENRAF-NONIUS FR591
Temperature [K]	293
Detector technology	CCD
Collection date	2004-08-20
Detector	BRUKER SMART 2000
Wavelength(s)	1.5418
Spacegroup name	C 1 2 1
Unit cell lengths	188.409, 38.936, 96.018
Unit cell angles	90.00, 105.32, 90.00

Refinement procedure

Resolution	57.680 - 2.700
R-factor	0.218
Rwork	0.218
R-free	0.26200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1bj5
RMSD bond length	0.014
RMSD bond angle	1.400
Data reduction software	PROTEUM PLUS (PLUS)
Data scaling software	PROTEUM PLUS (PLUS)
Phasing software	AMoRE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	57.810	2.870
High resolution limit [Å]	2.700	2.700
Number of reflections	17851
Completeness [%]	93.4	89.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION, vapor diffusion, sitting drop	7.5	293	31-34% (w/v) PEG 3350, 50mM potassium phosphate (pH 7.5). Crystals grew spontaneously as clusters of rods after three days. Technique of streak-seeding was used to improve crystal quality., EVAPORATION, vapor diffusion, sitting drop, temperature 293K