3CFT

Crystal structure of human transthyretin in complex with 1-amino-5-naphthalene sulfonate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU ULTRAX 18
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2005-06-02
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	P 21 21 2
Unit cell lengths	42.960, 85.610, 63.800
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.400 - 1.870
R-factor	0.194
Rwork	0.191
R-free	0.23900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3cfm
RMSD bond length	0.019
RMSD bond angle	1.664
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]	85.749	42.960	1.960
High resolution limit [Å]	1.870	5.880	1.870
Rmerge	0.059	0.025	0.457
Total number of observations		2786	9788
Number of reflections	19759
<I/σ(I)>	9.7	16.8	1.6
Completeness [%]	96.8	99.6	83.1
Redundancy	4.1	3.8	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1