5N62

Human TTR crystals soaked in manganese chloride.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-07-26
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.891993
Spacegroup name	P 21 21 2
Unit cell lengths	43.270, 85.830, 63.900
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.638 - 1.800
R-factor	0.1976
Rwork	0.195
R-free	0.24450
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5k1j
RMSD bond length	0.009
RMSD bond angle	1.025
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.850
High resolution limit [Å]	1.800	1.800
Rmerge	0.176	2.175
Number of reflections	42596	3134
<I/σ(I)>	11.53	1.52
Completeness [%]	100.0	100
Redundancy	7.37	7.61
CC(1/2)	0.998	0.390

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	293	protein: 10 mg/ml Dialysed in 100 milli-M NaCl, 50 milli-M sodium acetate, pH 5.5 precipitant: 26% polyethylene glycol 4,000 (PEG4K), 0.16 M imidazole malate, pH 6.0 cryosoak: 40 % CM7 (12.5 % di-ethylene glycol + 12.5 % ethylene glycol + 12.5 % glycerol + 25 % 1,2-propanediol + 12.5 % DMSO), 25 % MPEG 5K, 5 mM MnCl2, 10 min soak.