6IMX

Crystal structure of V30M mutated transthyretin in complex with 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	2015-12-06
Detector	ADSC QUANTUM 315r
Wavelength(s)	1
Spacegroup name	P 21 21 2
Unit cell lengths	43.010, 85.880, 64.190
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.940 - 1.602
R-factor	0.1964
Rwork	0.195
R-free	0.22430
RMSD bond length	0.006
RMSD bond angle	0.889
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]	42.940	1.660
High resolution limit [Å]	1.600	1.600
Rpim	0.022	0.390
Number of reflections	31551	3026
<I/σ(I)>	14.6	1.9
Completeness [%]	98.7	96.9
Redundancy	4.9	4.3

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