6TJN

Human transthyretin (TTR) complexed with (E)-3-(((4-hydroxybenzylidene)amino)oxy)propanoic acid

Experimental procedure

実験手法	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-07-06
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.9801
Spacegroup name	P 21 21 2
格子定数 [Å]	43.190, 85.870, 63.940
格子定数 [度]	90.00, 90.00, 90.00

精密化法

分解能	38.584 - 1.702
R因子	0.1753
Rwork	0.174
R-free	0.19250
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4tq8
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	BUSTER
Refinement software	PHENIX (1.13_2998)

Quality characteristics

	Overall	Outer shell
分解能 [Å] (低)	50.000	1.720
分解能 [Å] (高)	1.700	1.710
独立反射数	26756	52925
<I/σ(I)>	14.62
完全性 [%]	99.8
冗長性	6
CC(1/2)	0.990	0.740

結晶化条件

結晶ID	方法	pH	温度	溶液条件
1	VAPOR DIFFUSION, SITTING DROP		293	Protein: 4.93 mg/mL, Tris pH 8.0, 150mM NaCl. Reservoir: 24% PEG 600, 0.2 Imidazole Malate pH 5.5.