2G4E

Crystal structure of transthyretin mutant I84A at neutral pH

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ELETTRA BEAMLINE 5.2R
Synchrotron site	ELETTRA
Beamline	5.2R
Temperature [K]	100
Detector technology	CCD
Collection date	2006-02-04
Detector	MARRESEARCH
Wavelength(s)	1.2
Spacegroup name	P 21 21 2
Unit cell lengths	41.946, 85.547, 62.343
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.600 - 2.170
R-factor	0.209
Rwork	0.209
R-free	0.24600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1f41
RMSD bond length	0.007
RMSD bond angle	1.500
Data reduction software	MOSFLM
Data scaling software	CCP4 ((SCALA))
Phasing software	AMoRE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.600	2.270
High resolution limit [Å]	2.160	2.160
Number of reflections	10389
<I/σ(I)>	8.8	2.3
Completeness [%]	84.5	58.5
Redundancy	2.4	2.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	0.1M CaCl2, 14% PEG 400, 7.5% PEG 1500, 0.05M sodium Hepes, VAPOR DIFFUSION, HANGING DROP, temperature 298K