3NEO

Wild type human transthyretin (TTR) complexed with GC-24 (TTRwt:GC-24)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LNLS BEAMLINE W01B-MX2
Synchrotron site	LNLS
Beamline	W01B-MX2
Temperature [K]	100
Detector technology	CCD
Collection date	2009-03-15
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.4586
Spacegroup name	P 21 21 2
Unit cell lengths	42.770, 84.910, 64.440
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.910 - 2.000
R-factor	0.185
Rwork	0.183
R-free	0.22000
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.568
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.16)
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	64.440	25.910	2.110
High resolution limit [Å]	2.000	6.320	2.000
Rmerge		0.048	0.439
Total number of observations		3542	14565
Number of reflections	16052
<I/σ(I)>	13.1	9.8	1.8
Completeness [%]	97.7	96.7	95.6
Redundancy	6.4	6.1	6.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	0.2 M CaCl2, 0.1 M HEPES pH 7.5, 28% PEG 400, vapor diffusion, hanging drop, temperature 293K