3DJZ

Crystal structure of transthyretin variant L55P at neutral pH

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Detector technology	CCD
Collection date	2006-12-07
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9859
Spacegroup name	P 21 21 2
Unit cell lengths	42.729, 83.628, 66.598
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	66.670 - 1.820
R-factor	0.19718
Rwork	0.196
R-free	0.21873
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1f41
RMSD bond length	0.019
RMSD bond angle	1.551
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	66.670	1.920
High resolution limit [Å]	1.820	1.820
Rmerge	0.054	0.414
Number of reflections	21935
<I/σ(I)>	21.3	4.4
Completeness [%]	99.4	99.3
Redundancy	6.9	7.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	295	32% PEG 400, 0.05-0.2M CaCl2, 0.1M NaHepes , pH 7.5, VAPOR DIFFUSION, temperature 295K