1E7A

Crystal structure of human serum albumin complexed with the general anesthetic propofol

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	1999-10-15
Detector	ADSC QUANTUM
Spacegroup name	P 1
Unit cell lengths	55.400, 55.610, 120.500
Unit cell angles	81.11, 90.57, 65.50

Refinement procedure

Resolution	30.000 - 2.200
R-factor	0.248
Rwork	0.248
R-free	0.27200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ao6
RMSD bond length	0.007
RMSD bond angle	23.100 *
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]	29.880	2.320
High resolution limit [Å]	2.200	2.200
Rmerge	0.046	0.296
Number of reflections	62870
<I/σ(I)>	7.6	2.2
Completeness [%]	96.1	93.4
Redundancy	1.9	1.6

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