1G1O

CRYSTAL STRUCTURE OF THE HIGHLY AMYLOIDOGENIC TRANSTHYRETIN MUTANT TTR G53S/E54D/L55S

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX II BEAMLINE I711
Synchrotron site	MAX II
Beamline	I711
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1998-06-05
Detector	MARRESEARCH
Spacegroup name	P 32 2 1
Unit cell lengths	58.310, 58.310, 228.950
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	15.000 - 2.300
R-factor	0.239 *
Rwork	0.238
R-free	0.29000
RMSD bond length	0.007
RMSD bond angle	27.140 *
Data reduction software	DENZO
Data scaling software	CCP4 ((SCALA))
Phasing software	X-PLOR
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.420
High resolution limit [Å]	2.300	2.300
Rmerge	0.082	0.546
Total number of observations	109159 *
Number of reflections	20911	2960 *
<I/σ(I)>	8.8	1.3
Completeness [%]	99.2	98.4
Redundancy	5.2	5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5 *	298	PEG 5000 MME, sodium citrate, ammonium sulphate, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	3 (mg/ml)
2	1	drop	Tris	50 (mM)
3	1	reservoir	PEG MME5000	40-42 (%)
4	1	reservoir	sodium citrate	100 (mM)
5	1	reservoir	ammonium sulfate	100 (mM)