5DEJ

Transthyretin natural mutant A19D

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-04-27
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.9200
Spacegroup name	P 21 21 2
Unit cell lengths	85.930, 41.750, 62.740
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.552 - 1.370
R-factor	0.1799
Rwork	0.178
R-free	0.20740
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.073
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	41.750	41.750	1.410
High resolution limit [Å]	1.370	6.130	1.370
Rmerge	0.061	0.043	0.591
Number of reflections	46599
<I/σ(I)>	11.7
Completeness [%]	97.1	93.5	98
Redundancy	4	3.8	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	100 mM HEPES, 200 mM CaCl2 and 28% PEG400, pH 7.5