4D7B

Structure of human transthyretin in complex with Tolcapone

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-06-14
Detector	DECTRIS PILATUS 6M
Spacegroup name	P 21 21 2
Unit cell lengths	84.112, 43.807, 65.852
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	65.850 - 1.150
R-factor	0.17245
Rwork	0.171
R-free	0.20059
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.032
RMSD bond angle	2.417
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.810	1.210
High resolution limit [Å]	1.150	1.150
Rmerge	0.050	0.420
Number of reflections	86971
<I/σ(I)>	16	3.6
Completeness [%]	98.7	96.6
Redundancy	6.2	5.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1