5NFE

Neutron structure of human transthyretin (TTR) T119M mutant at room temperature to 1.85A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	NUCLEAR REACTOR
Source details	FRM II BEAMLINE BIODIFF
Synchrotron site	FRM II
Beamline	BIODIFF
Temperature [K]	298
Detector technology	IMAGE PLATE
Collection date	2016-09-08
Detector	BIODIFF
Wavelength(s)	2.67
Spacegroup name	P 21 21 2
Unit cell lengths	43.710, 86.320, 65.338
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.485 - 1.850
R-factor	0.2173
Rwork	0.213
R-free	0.25360
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5cm1
RMSD bond length	0.014
RMSD bond angle	1.548
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	REFMAC
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.610	1.900
High resolution limit [Å]	1.850	1.850
Rmerge	0.164	0.526
Rpim	0.136	0.499
Number of reflections	19760	1278
<I/σ(I)>	3.7	1.2
Completeness [%]	90.6	83.7
Redundancy	2	1.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	1.9M sodium malonate pD5.9, 40mg/ml protein
1	VAPOR DIFFUSION, SITTING DROP		291	1.9M sodium malonate pD5.9, 40mg/ml protein