2NOY

Crystal structure of transthyretin mutant I84S at PH 7.5

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	2006-04-04
Detector	MAR CCD 165 mm
Wavelength(s)	1.2
Spacegroup name	P 21 21 2
Unit cell lengths	42.902, 85.344, 65.375
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	65.370 - 1.800
R-factor	0.19755
Rwork	0.195
R-free	0.25092
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1f41
RMSD bond length	0.016
RMSD bond angle	1.595
Data reduction software	MOSFLM
Data scaling software	CCP4 ((SCALA))
Phasing software	MOLREP
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	65.400	1.900
High resolution limit [Å]	1.800	1.800
Rmerge	0.056	0.359
Number of reflections	22687
<I/σ(I)>	10.1	2
Completeness [%]	99.2	99.8
Redundancy	6.9	6.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	0.1M CaCl2, 14%(w/v) PEG 400, 7.5%(w/v) PEG 1500, 0.05M sodium Hepes (pH 7.5), VAPOR DIFFUSION, SITTING DROP, temperature 298K