3CXF

Crystal structure of transthyretin variant Y114H

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	CCD
Collection date	2007-12-07
Detector	ADSC QUANTUM 210
Wavelength(s)	0.97623
Spacegroup name	P 21 21 2
Unit cell lengths	42.563, 86.279, 64.829
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	51.830 - 2.300
R-factor	0.218
Rwork	0.218
R-free	0.28100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3bt0
RMSD bond length	0.006
RMSD bond angle	1.300
Data reduction software	MOSFLM
Data scaling software	SCALA
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	64.800	2.420
High resolution limit [Å]	2.300	2.300
Rmerge	0.095	0.156
Number of reflections	11041
<I/σ(I)>	5.2	3.9
Completeness [%]	99.3	100
Redundancy	5.9	6.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	5.6	295	0.066M CaCl2, 19 % (w/v) PEG 400, 0.13M sodium Hepes, pH 5.6, VAPOR DIFFUSION, temperature 295K