3U2I

X-ray crystal structure of human Transthyretin at room temperature

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	MACSCIENCE
Temperature [K]	293
Detector technology	IMAGE PLATE
Collection date	2010-09-09
Detector	MAC Science DIP-2000
Wavelength(s)	1.54
Spacegroup name	P 21 21 2
Unit cell lengths	43.431, 86.368, 65.716
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.801 - 1.700
R-factor	0.1969
Rwork	0.195
R-free	0.23920
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2rox
RMSD bond length	0.007
RMSD bond angle	1.029
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: 1.7.1_743))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.760
High resolution limit [Å]	1.700	1.700
Rmerge	0.092	0.573
Number of reflections	26473
<I/σ(I)>		2.8
Completeness [%]	94.7	89
Redundancy	19.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4	293	2.0M tri-ammonium citrate(pD7.4), 0.4M MgCl2, VAPOR DIFFUSION, HANGING DROP, temperature 293K