7EJR

Crystal structure of V30M mutated transthyretin in complex with 8-chloro-9-oxo-9H-xanthene-3-carboxylic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-17A
Synchrotron site	Photon Factory
Beamline	BL-17A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-11-29
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.98
Spacegroup name	P 21 21 2
Unit cell lengths	42.139, 85.929, 62.858
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.429 - 1.451
R-factor	0.1944
Rwork	0.194
R-free	0.20750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4n85
RMSD bond length	0.006
RMSD bond angle	0.941
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.470	1.500
High resolution limit [Å]	1.450	1.450
Rmeas	0.046	0.497
Rpim	0.018	0.192
Number of reflections	41002	3921
<I/σ(I)>	21	3.3
Completeness [%]	99.6
Redundancy	6.5
CC(1/2)	0.999	0.915

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	PEG400, CaCl2, NaOAc