2F8I

Human transthyretin (TTR) complexed with Benzoxazole

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 14-BM-C
Synchrotron site	APS
Beamline	14-BM-C
Temperature [K]	100
Detector technology	CCD
Collection date	2002-08-10
Detector	ADSC QUANTUM 4
Wavelength(s)	0.90
Spacegroup name	P 21 21 2
Unit cell lengths	43.072, 84.690, 64.731
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.360 - 1.541
R-factor	0.21885
Rwork	0.217
R-free	0.24629
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1bmz
RMSD bond length	0.012
RMSD bond angle	1.455
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	EPMR
Refinement software	REFMAC (5.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.360	1.580
High resolution limit [Å]	1.540	1.540
Number of reflections	30705
Completeness [%]	86.0	89

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	298	1 MM EDTA, 100 mM KCL, 10 MM SODIUM R 0.35 M AMMONIUM SULFATE - CRYSTALS WERE SOAKED WITH THE INHIBITOR, PH 7.0, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 298K, pH 7.00