1HK2

HUMAN SERUM ALBUMIN MUTANT R218H 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	58.942, 88.391, 59.992
Unit cell angles	90.00, 103.00, 90.00

Refinement procedure

Resolution	34.900 * - 2.800
R-factor	0.19
Rwork	0.190
R-free	0.24400
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]	34.900	2.950
High resolution limit [Å]	2.800	2.800
Rmerge	0.071	0.398
Number of reflections	14703
<I/σ(I)>	5.2	1.8
Completeness [%]	99.0	100
Redundancy	2.7	2.7

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