3TFB

Transthyretin natural mutant A25T

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2010-12-08
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 21 2 21
Unit cell lengths	43.081, 64.172, 85.552
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.239 - 2.033
R-factor	0.1936
Rwork	0.191
R-free	0.23940
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3cfm
RMSD bond length	0.004
RMSD bond angle	0.668
Data reduction software	XDS
Data scaling software	d*TREK
Phasing software	PHASER
Refinement software	PHENIX (1.7.1_743)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	20.000		2.150
High resolution limit [Å]	2.030	5.840	2.030
Rmerge	0.098	0.038	0.614
Number of reflections	15676	723	2359
<I/σ(I)>	9.94	24.09	2.22
Completeness [%]	98.7	94.6	94.6

Crystallization Conditions

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