1HK1

HUMAN SERUM ALBUMIN 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 X13
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X13
Temperature [K]	298
Detector technology	CCD
Collection date	2001-07-15
Detector	MARRESEARCH
Spacegroup name	P 1 21 1
Unit cell lengths	59.140, 88.570, 59.820
Unit cell angles	90.00, 102.39, 90.00

Refinement procedure

Resolution	35.400 * - 2.650
R-factor	0.2
Rwork	0.200
R-free	0.25200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1e7a
RMSD bond length	0.007
RMSD bond angle	1.250 *
Data reduction software	MOSFLM
Data scaling software	CCP4
Phasing software	X-PLOR
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.400	2.790
High resolution limit [Å]	2.650	2.650
Rmerge	0.054	0.364
Number of reflections	16851
<I/σ(I)>	3.7	3
Completeness [%]	95.9	97.5
Redundancy	2.2	2.2

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