3CFM

Crystal structure of the apo form of human wild-type transthyretin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU ULTRAX 18
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2005-05-10
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.542
Spacegroup name	P 21 21 2
Unit cell lengths	43.169, 86.109, 63.764
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	17.870 - 1.600
R-factor	0.192
Rwork	0.191
R-free	0.21800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1f41
RMSD bond length	0.007
RMSD bond angle	1.057
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	86.109	17.870	1.690
High resolution limit [Å]	1.600	5.060	1.600
Rmerge	0.046	0.028	0.398
Total number of observations		7253	30557
Number of reflections	32073
<I/σ(I)>	8.9	16.7	1.9
Completeness [%]	99.9	96.9	100
Redundancy	6.9	6.6	6.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291	Mother liquor: 100 mM tris pH 7.5, 100 mM KCl, 20 % v/v PEG 400; drop 1 uL mother liquor + 1 uL TTR 10 mg/mL; crystals appeared in about 5 days, VAPOR DIFFUSION, HANGING DROP, temperature 291K