4Y9B

Crystal structure of V30M mutated transthyretin in complex with alpha-mangostin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NW12A
Synchrotron site	Photon Factory
Beamline	AR-NW12A
Temperature [K]	100
Detector technology	CCD
Collection date	2013-06-15
Detector	ADSC QUANTUM 210r
Wavelength(s)	1
Spacegroup name	P 21 21 2
Unit cell lengths	43.633, 85.365, 64.703
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.600 - 1.400
R-factor	0.19383
Rwork	0.192
R-free	0.23546
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4pwe
RMSD bond length	0.015
RMSD bond angle	1.815
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	1.420
High resolution limit [Å]	1.400	1.400
Rmerge		0.700
Number of reflections	48115
<I/σ(I)>	26.7	1.8
Completeness [%]	99.3	98.2
Redundancy	5.8	4.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	293	16% PEG400, 0.1M NaOAc, 0.2 M CaCl2