3I9P

Crystal structure of human transthyretin - wild type

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LNLS BEAMLINE D03B-MX1
Synchrotron site	LNLS
Beamline	D03B-MX1
Temperature [K]	100
Detector technology	CCD
Collection date	2008-03-27
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.4250
Spacegroup name	P 21 21 2
Unit cell lengths	42.420, 83.490, 63.500
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	21.850 - 1.900
R-factor	0.201
Rwork	0.199
R-free	0.25500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3cfm
RMSD bond length	0.011
RMSD bond angle	1.602
Data reduction software	MOSFLM
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]	63.500	21.850	2.000
High resolution limit [Å]	1.900	6.010	1.900
Rmerge	0.057	0.028	0.254
Total number of observations		1936	7738
Number of reflections	17774
<I/σ(I)>	19.9	16.3	2.8
Completeness [%]	97.0	97.5	93.7
Redundancy	3.2	3	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	1 uL 5 mg/mL wtTTR + 1 uL well solution - 0.1 M Hepes sodium pH 7.5, 28 % PEG 400, 0.2 calcium chloride dihydrate (Hampton's Crystal Screen I #14), VAPOR DIFFUSION, HANGING DROP, temperature 293K