1HK3

Human serum albumin mutant r218p complexed with thyroxine (3,3',5,5'-tetraiodo-l-thyronine)

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	CCD
Collection date	2002-07-15
Detector	MARRESEARCH
Spacegroup name	P 1 21 1
Unit cell lengths	59.328, 89.284, 60.526
Unit cell angles	90.00, 100.80, 90.00

Refinement procedure

Resolution	35.400 * - 2.800
R-factor	0.203
Rwork	0.203
R-free	0.24500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1e7a
RMSD bond length	0.008
RMSD bond angle	1.270 *
Data reduction software	MOSFLM
Data scaling software	CCP4
Phasing software	CNS
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.400	2.950
High resolution limit [Å]	2.800	2.800
Rmerge	0.070	0.370
Number of reflections	14600
<I/σ(I)>	5.7	2
Completeness [%]	85.1 *	97.7
Redundancy	3.1	3

Crystallization Conditions

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

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	100 (mg/ml)
2	1	drop	potassium phosphate	20 (mM)	pH7.0-7.5