6GRP

Crystal Structure Of Human Transthyretin in complex with 3,5,6-trichloro-2-pyridinol (TC2P)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER AXS MICROSTAR-H
Temperature [K]	100
Detector technology	CCD
Collection date	2017-01-19
Detector	Bruker Platinum 135
Wavelength(s)	1.5418
Spacegroup name	P 21 21 2
Unit cell lengths	85.430, 42.820, 64.771
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.280 - 1.600
R-factor	0.148
Rwork	0.146
R-free	0.18700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1f41
RMSD bond length	0.009
RMSD bond angle	0.926
Data reduction software	SAINT
Data scaling software	SADABS
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.300	1.660
High resolution limit [Å]	1.600	1.600
Rmerge	0.065	0.612
Number of reflections	31208
<I/σ(I)>	16.8	1.4
Completeness [%]	96.4	78.9
Redundancy	6.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	291	Purified TTRwt was dialyzed against 10 mM sodiumphosphate buffer with 100 mM KCl pH 7.6 and concentrated to 5 mg per ml. TC2P was added at 5 x molar excess to the protein. The 1.65 M NaCitrate pH 5.5, 5.8-8.6 % glycerol.