5NFW

Neutron structure of human transthyretin (TTR) S52P mutant at room temperature to 1.8A resolution (quasi-Laue)

Experimental procedure

Experimental method	LAUE
Source type	NUCLEAR REACTOR
Source details	ILL BEAMLINE LADI
Synchrotron site	ILL
Beamline	LADI
Temperature [K]	293
Detector technology	IMAGE PLATE
Collection date	2016-06-14
Detector	LADI III
Wavelength(s)	2.90-3.90
Spacegroup name	P 21 21 2
Unit cell lengths	43.778, 86.299, 65.534
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.540 - 1.800
R-factor	0.2164
Rwork	0.211
R-free	0.26070
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5clx
RMSD bond length	0.015
RMSD bond angle	1.628
Data reduction software	LAUEGEN
Data scaling software	LSCALE
Phasing software	REFMAC
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.042	1.900
High resolution limit [Å]	1.800	1.800
Rmerge	0.159	0.202
Rpim	0.061	0.112
Number of reflections	23338	1806
<I/σ(I)>	8.4	4.9
Completeness [%]	79.5	54.3
Redundancy	5.2	2.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	1.9M sodium malonate pD 6.4, 25mg/ml protein
1	VAPOR DIFFUSION, SITTING DROP		293	1.9M sodium malonate pD 6.4, 25mg/ml protein