4IKL

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

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, 85.540, 64.110
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.760 - 1.900
R-factor	0.2061
Rwork	0.204
R-free	0.24420
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.361
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]	64.150	43.073	2.000
High resolution limit [Å]	1.900	6.010	1.900
Rmerge	0.074	0.032	0.520
Rmeas		0.036	0.564
Rpim		0.015	0.215
Total number of observations		4282	18482
Number of reflections	19364
<I/σ(I)>	19.1	44.9	3.4
Completeness [%]	100.0	99.7	100
Redundancy	6.7	6.1	6.7

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, 100 mM KCl, VAPOR DIFFUSION, HANGING DROP, temperature 291K