3OZK

Crystal structure of human transthyretin variant A25T in complex with thyroxine (T4)

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	IMAGE PLATE
Collection date	2008-03-27
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.4586
Spacegroup name	P 21 21 2
Unit cell lengths	43.130, 85.310, 64.340
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.010 - 1.900
R-factor	0.191
Rwork	0.188
R-free	0.23600
RMSD bond length	0.018
RMSD bond angle	1.823
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.25)
Phasing software	REFMAC (5.5.0102)
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	64.340	26.011	2.000
High resolution limit [Å]	1.900	6.010	1.900
Rmerge	0.061	0.072	0.260
Number of reflections	19350
<I/σ(I)>	17.6	8.4	2.8
Completeness [%]	99.8	95.3	100
Redundancy	4.1	3.7	4.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	0.1M Hepes sodium pH 7.5, 28% PEG 400, 0.2 calcium chloride dihydrate, VAPOR DIFFUSION, HANGING DROP, temperature 293K, complex obtained by soaking crystal with ligand.