4TQH

Human transthyretin (TTR) complexed with 3-(9H-fluoren-9-ylideneaminooxy)ethanoic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-01-30
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.87006
Spacegroup name	P 21 21 2
Unit cell lengths	42.440, 85.960, 63.000
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.055 - 1.511
R-factor	0.1872
Rwork	0.185
R-free	0.22200
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	4tq8
RMSD bond length	0.007
RMSD bond angle	1.639
Data scaling software	XDS
Refinement software	PHENIX ((phenix.refine: 1.8.4_1496))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.000	1.600
High resolution limit [Å]	1.510	1.510
Rmerge	0.122
Number of reflections	36840
<I/σ(I)>	12.8	0.7
Completeness [%]	99.9	99.7
Redundancy	9.13	9.34

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.7	293	protein: 5 mg/ml 0.05 M NaCl, 0.05 M Na acetate, pH 5.5 with 1 milli-M ligand. Precipitant: 60% (30% PEG-4K, 0.2 M imidazole malate, pH 6.0) and 40% (24% MPEG-5K, 0.1M sodium acetate, pH 5.5). Cryoprotectant: 40% (25 % diethylene glycol, 12.5 % MPD, 37.5 % 2,3-butanediol, 12.5 % 1,4-dioxane), 12.5% MPEG 5K, 25% MPEG 550, 100 mM (sodium propionate, sodium cacodylate, Bis-Tris-propane(50% component A pH 4; 50% B pH 9.5) and 1 mM ligand.