7DT6

Crystal structure of V30M mutated transthyretin in complex with purpurin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-5A
Synchrotron site	Photon Factory
Beamline	BL-5A
Temperature [K]	100
Detector technology	CCD
Collection date	2016-06-18
Detector	ADSC QUANTUM 270
Wavelength(s)	1
Spacegroup name	P 21 21 2
Unit cell lengths	42.930, 85.430, 63.690
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.280 - 1.300
R-factor	0.1882
Rwork	0.187
R-free	0.21120
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4pwe
RMSD bond length	0.006
RMSD bond angle	0.893
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX ((1.10.1-2155_1069: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.900	1.350
High resolution limit [Å]	1.300	1.300
Rmeas	0.076	0.994
Rpim	0.025	0.492
Number of reflections	56091	5685
<I/σ(I)>	15.5	1.8
Completeness [%]	96.0
Redundancy	6.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	PEG400, CaC2l, NaOAc