1E7B

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

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	IMAGE PLATE
Collection date	1999-07-15
Detector	MARRESEARCH
Spacegroup name	P 1
Unit cell lengths	54.580, 54.960, 120.000
Unit cell angles	81.39, 90.79, 65.55

Refinement procedure

Resolution	17.000 - 2.380
R-factor	0.27
Rwork	0.270
R-free	0.30300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ao6
RMSD bond length	0.006
RMSD bond angle	22.700 *
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]	14.970	2.510
High resolution limit [Å]	2.380	2.380
Rmerge	0.049	0.267
Number of reflections	48001
<I/σ(I)>	8.1	2.2
Completeness [%]	95.7	87.7
Redundancy	1.9	1.8

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)