3D2T

Human transthyretin (ttr) complexed with diflunisal

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	2003-02-15
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9
Spacegroup name	P 21 21 2
Unit cell lengths	43.204, 85.265, 64.208
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.580 - 1.850
R-factor	0.21351
Rwork	0.212
R-free	0.23494
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1bmz
RMSD bond length	0.011
RMSD bond angle	1.412
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	EPMR
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.580	1.900
High resolution limit [Å]	1.850	1.852
Number of reflections	20478
Completeness [%]	98.4	96.11

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	289	5-7 mg/ml protein, in 0.3 M AMMONIUM SULFATE, 100 MM KCL, 1 MM EDTA, 10 MM SODIUM PHOSPHATE equilibrated against 2 M ammonium sulfate; SOAKED WITH THE INHIBITOR., pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 289K