1O9X

HUMAN SERUM ALBUMIN COMPLEXED WITH TETRADECANOIC ACID (MYRISTIC ACID) AND HEMIN

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	2002-10-15
Detector	ADSC CCD
Spacegroup name	P 21 21 2
Unit cell lengths	80.084, 202.702, 39.366
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.230 - 3.200
R-factor	0.231
Rwork	0.231
R-free	0.28800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1e7g
RMSD bond length	0.007
RMSD bond angle	19.500 *
Data reduction software	MOSFLM
Data scaling software	CCP4
Phasing software	AMoRE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	27.200	3.400
High resolution limit [Å]	3.200	3.200
Rmerge	0.057	0.345
Number of reflections	10825 *
<I/σ(I)>	8.1	2.1
Completeness [%]	96.2	92.4
Redundancy	2.7	2.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	7	4 *	pH 7.00

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	90 (mg/ml)
2	1	drop	PEG3350	20-40 (%)
3	1	drop	potassium phosphate	50 (mM)