3DJR

CRYSTAL STRUCTURE OF TRANSTHYRETIN VARIANT L58H at neutral pH

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	CCD
Collection date	2007-03-10
Detector	ADSC QUANTUM 315
Wavelength(s)	0.99988
Spacegroup name	P 21 21 2
Unit cell lengths	42.879, 84.144, 64.422
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.000 - 2.020
R-factor	0.20153
Rwork	0.200
R-free	0.22776
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1f41
RMSD bond length	0.017
RMSD bond angle	1.588
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASES
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	64.420	2.110
High resolution limit [Å]	2.020	2.020
Rmerge	0.057	0.349
Number of reflections	15678
<I/σ(I)>	22.6	4.1
Completeness [%]	95.4	69.5
Redundancy	3.5	3.5

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