1E7C

HUMAN SERUM ALBUMIN COMPLEXED WITH MYRISTIC ACID and the general anesthetic halothane

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	1999-06-15
Detector	ADSC QUANTUM
Spacegroup name	C 1 2 1
Unit cell lengths	188.910, 39.080, 96.690
Unit cell angles	90.00, 105.41, 90.00

Refinement procedure

Resolution	47.000 - 2.400
R-factor	0.232
Rwork	0.232
R-free	0.28200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1bj5
RMSD bond length	0.015
RMSD bond angle	23.700 *
Data reduction software	MOSFLM
Data scaling software	CCP4
Phasing software	AMoRE
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.130	2.530
High resolution limit [Å]	2.400	2.400
Rmerge	0.049	0.278
Number of reflections	26988
<I/σ(I)>	8.6	2.6
Completeness [%]	99.1	98.6
Redundancy	3.5	3.4

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	reservoir	PEG3350	28-30 (%(w/v))
2	1	reservoir	potassium phosphate	50 (mM)