4IKI

Crystal structure of wild-type human transthyretin in complex with indomethacin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU ULTRAX 18
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2005-05-01
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	P 21 21 2
Unit cell lengths	43.090, 86.120, 63.520
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.100 - 2.000
R-factor	0.1746
Rwork	0.172
R-free	0.23480
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.019
RMSD bond angle	2.134
Data reduction software	MOSFLM (3.2.25)
Data scaling software	SCALA (3.2.25)
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	63.520	43.073	2.110
High resolution limit [Å]	2.000	6.320	2.000
Rmerge	0.071	0.030	0.410
Rmeas		0.033	0.446
Rpim		0.014	0.171
Total number of observations		3679	14790
Number of reflections	16478
<I/σ(I)>	20.4	48.1	4.3
Completeness [%]	99.4	99.7	98.9
Redundancy	6.5	6.1	6.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4	291	10mg/mL wtTTR, 22% peg 400, 100mM Tris pH 7.4, 100mM KCl, VAPOR DIFFUSION, HANGING DROP, temperature 291K