6IMY

Crystal structure of V30M mutated transthyretin in complex with 4'-caroboxybenzo-18-Crown-6

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	2016-02-22
Detector	ADSC QUANTUM 315r
Wavelength(s)	1
Spacegroup name	P 21 21 2
Unit cell lengths	42.925, 85.015, 63.834
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.318 - 1.501
R-factor	0.1813
Rwork	0.180
R-free	0.20900
RMSD bond length	0.006
RMSD bond angle	0.996
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX ((1.10.1-2155_1069: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.510	1.550
High resolution limit [Å]	1.500	1.500
Rmeas	0.063	0.769
Rpim	0.026	0.313
Number of reflections	38117	3744
<I/σ(I)>	21.5	2.6
Completeness [%]	99.9	99.8
Redundancy	6	5.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	27% PEG400, 0.1 M MES pH 6.5, 0.4 M CaCl2