7ACU

Crystal structure of human transthyretin in complex with Benzbromarone

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-05-20
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97857
Spacegroup name	P 21 21 2
Unit cell lengths	42.500, 85.190, 64.080
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.470 - 1.541
R-factor	0.1839
Rwork	0.182
R-free	0.21380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1y1d
RMSD bond length	0.006
RMSD bond angle	1.257
Data reduction software	iMOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.17.1-3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	64.390	64.390
High resolution limit [Å]	1.350	1.350
Rmerge	0.071	0.071
Number of reflections	52367	321843
<I/σ(I)>	8.1
Completeness [%]	100.0
Redundancy	6.1
CC(1/2)	0.990

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.8	293	0.2 M acetate buffer pH 4.8, 2.2 M ammonium sulfate, 7% glycerol