2QEL

Crystal structure of the highly amyloidogenic transthyretin mutant TTR G53S/E54D/L55S- heated protein

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	CCD
Collection date	2005-11-14
Detector	MAR CCD 165 mm
Wavelength(s)	1.115
Spacegroup name	P 32 2 1
Unit cell lengths	58.360, 58.360, 229.160
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	15.000 - 2.290
R-factor	0.234
Rwork	0.231
R-free	0.28900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1g1o
RMSD bond length	0.015
RMSD bond angle	1.567
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	76.472	29.180	2.420
High resolution limit [Å]	2.290	7.250	2.290
Rmerge	0.114	0.031	0.554
Total number of observations		6869	24773
Number of reflections	20038
<I/σ(I)>	3.1	19.7	1.4
Completeness [%]	93.9	98	92
Redundancy	9.9	8.9	8.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	291	0.1M Tris, 2.4M Ammonium sulphate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K