4WO0

Crystal structure of transthyretin in complex with apigenin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-03-23
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1.00
Spacegroup name	P 21 21 2
Unit cell lengths	42.660, 85.739, 63.978
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.870 - 1.339
R-factor	0.186
Rwork	0.185
R-free	0.20630
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4wnj
RMSD bond length	0.006
RMSD bond angle	1.079
Refinement software	PHENIX ((phenix.refine: dev_1647))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.870	1.410
High resolution limit [Å]	1.339	1.339
Rmerge	0.031	0.465
Number of reflections	53610
<I/σ(I)>	26.2	2.8
Completeness [%]	98.3	94.5
Redundancy	5.7	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	The protein (5 mg/ml) was in 20 mM sodium phosphate at pH 7. The reservoir solution was 2.0 M ammonium sulfate, 0.1 M KCl, 0.05 M sodium phosphate, pH 7.0.