4PWF

Crystal structure of V30M mutant human transthyretin complexed with ferulic acid phenethyl ester

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	2013-10-27
Detector	ADSC QUANTUM 210
Wavelength(s)	1
Spacegroup name	P 21 21 2
Unit cell lengths	43.070, 84.989, 64.614
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.250 - 1.600
R-factor	0.2017
Rwork	0.200
R-free	0.23170
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4pwe
RMSD bond length	0.007
RMSD bond angle	1.101
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHENIX (1.8_1069)
Refinement software	PHENIX ((phenix.refine: 1.8_1069))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.300	1.630
High resolution limit [Å]	1.600	1.600
Rmerge	0.057	0.472
Number of reflections	30994
<I/σ(I)>	27	1.8
Completeness [%]	96.7	91.3
Redundancy	5.2	2.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	10-30% PEG400, 0.1M HEPES, 0.2M CaCl2, 4mM ferulic acid phenethyl ester, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 293K