3M1O

Human Transthyretin (TTR) complexed with 2-((3,5-dichloro-4-hydroxyphenyl)amino)benzoic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	CCD
Collection date	2008-12-13
Detector	ADSC QUANTUM 315
Wavelength(s)	0.98
Spacegroup name	P 21 21 2
Unit cell lengths	42.525, 85.390, 63.625
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.453 - 1.200
Rwork	0.143
R-free	0.17100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2rox
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (& Phenix.refine)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.070	1.260
High resolution limit [Å]	1.200	1.200
Rmerge	0.081	0.468
Number of reflections	73223
<I/σ(I)>	14.2	3.4
Completeness [%]	100.0	100
Redundancy	9.8	6.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	25- 32% V/V PEG550-MONOMETHYL ETHER, 70 MM NAAC BUFFER PH 4-5 AND 100 MM NACL, VAPOR DIFFUSION, HANGING DROP, temperature 298K