3U2J

Neutron crystal structure of human Transthyretin

Experimental procedure

Experimental method	LAUE
Source type	NUCLEAR REACTOR
Source details	J-PARC MLF BEAMLINE BL-03
Synchrotron site	JPARC MLF
Beamline	BL-03
Temperature [K]	293
Detector technology	STORAGE PHOSPHORS
Collection date	2010-11-20
Detector	wavelength-shift-fiber type of position-sensitive detector
Wavelength(s)	3.2 - 6.2
Spacegroup name	P 21 21 2
Unit cell lengths	44.094, 86.103, 66.313
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	12.100 - 2.000
R-factor	0.234
Rwork	0.232
R-free	0.27240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3u2i
RMSD bond length	0.004
RMSD bond angle	1.401
Data reduction software	STARGazer
Data scaling software	STARGazer
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: 1.7.1_743))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	12.100	2.070
High resolution limit [Å]	2.000	2.000
Number of reflections	15307
<I/σ(I)>	4.3	1.5
Completeness [%]	86.4	72.5
Redundancy	2.6	1.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.4	293	1.85M tri-ammonium citrate, pD7.4, 0.4M MgCl2, VAPOR DIFFUSION, SITTING DROP, temperature 293K