4PVN

Neutron structure of human transthyretin (TTR) at room temperature to 2.3A resolution (monochromatic)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	NUCLEAR REACTOR
Source details	OTHER
Temperature [K]	293
Detector technology	AREA DETECTOR
Collection date	2010-06-23
Detector	HE3 POSITION SENSITIVE DETECTOR
Wavelength(s)	2.42
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	52.276 - 2.300
R-factor	0.2118
Rwork	0.209
R-free	0.26200
RMSD bond length	0.012
RMSD bond angle	1.309
Data reduction software	RETREAT
Data scaling software	SCALA
Phasing software	MADSYS
Refinement software	PHENIX ((phenix.refine: 1.7.3_914))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	52.276	2.420	1.950
High resolution limit [Å]	2.300	2.300	1.850
Rmerge	0.152	0.645	0.420
Number of reflections	11395
<I/σ(I)>	7.7	1.6	2.67
Completeness [%]	99.3	98.7	97.9
Redundancy	3.5	2.6	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