1DVZ

CRYSTAL STRUCTURE OF HUMAN TRANSTHYRETIN IN COMPLEX WITH O-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACID

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	293
Detector technology	IMAGE PLATE
Collection date	1998-02-02
Detector	MACSCIENCE
Spacegroup name	P 21 21 2
Unit cell lengths	42.860, 85.840, 65.070
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 1.900
R-factor	0.192 *
Rwork	0.192
R-free	0.20000
RMSD bond length	0.006
RMSD bond angle	1.212
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	10.000	1.900
High resolution limit [Å]	1.800	1.800
Rmerge	0.049	0.373
Total number of observations	102879 *
Number of reflections	22485
<I/σ(I)>	12.6
Completeness [%]	98.9	96.9
Redundancy	4.58

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4	293	potassium chloride, potassium phosphate, ammonium sulfate, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	5 (mg/ml)
2	1	drop		100 (mM)
3	1	drop	phosphate	100 (mM)
4	1	drop	ammonium sulfate	1 (M)
5	1	reservoir	ammonium sulfate	2 (M)