4PVM

Neutron structure of human transthyretin (TTR) at room temperature to 2.0A resolution (Laue)

Experimental procedure

Experimental method	LAUE
Source type	NUCLEAR REACTOR
Source details	OTHER
Temperature [K]	293
Detector technology	IMAGE PLATE
Collection date	2010-05-12
Detector	LADI-III
Wavelength(s)	3.18-4.22
Spacegroup name	P 21 21 2
Unit cell lengths	43.680, 86.260, 65.720
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.378 - 2.000
R-factor	0.2147
Rwork	0.209
R-free	0.27090
RMSD bond length	0.013
RMSD bond angle	1.354
Data reduction software	LAUEGEN
Data scaling software	LSCALE
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: 1.7.3_914))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	43.680	2.110	1.950
High resolution limit [Å]	2.000	2.000	1.850
Rmerge	0.182	0.337	0.420
Number of reflections	13480
<I/σ(I)>	7.3	3.4	2.67
Completeness [%]	78.3	62.1	97.9
Redundancy	5.1	4	3.49

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.4	293	2.15M SODIUM MALONATE, 23MG/ML PROTEIN, pH 6.4, VAPOR DIFFUSION, SITTING DROP, temperature 293K
1	VAPOR DIFFUSION, SITTING DROP	6.4	293	2.15M SODIUM MALONATE, 23MG/ML PROTEIN, pH 6.4, VAPOR DIFFUSION, SITTING DROP, temperature 293K