5N7C

Human TTR altered conformation from soaking in CuCl2.

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	2016-10-23
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.980035
Spacegroup name	P 21 21 2
Unit cell lengths	42.990, 82.540, 67.770
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.270 - 2.450
R-factor	0.17261
Rwork	0.169
R-free	0.25386
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5k1j
RMSD bond length	0.016
RMSD bond angle	1.714
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.8.0155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.590
High resolution limit [Å]	2.440	2.440
Rmerge	0.107	0.672
Number of reflections	17252	2726
<I/σ(I)>	12.59	3.29
Completeness [%]	99.5	96.7
Redundancy	7.02	6.84
CC(1/2)	0.998	0.912

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: 21 % PEG4K, .14 M imidazole malate, pH 6.0, 3.6% MPEG 5K, 0.03 M sodium acetate, pH 5.5 cryosoak: 40% CM1 (12.5 % di-ethylene glycol + 12.5 % MPD + 37.5 % 1,2-propanediol + 12.5 % DMSO ), 25 % MPEG 5K,0.1 M CHC (citric acid, HEPES, CHES) 90 % acid at pH 4.0 / 10 % basic at pH 10.0), 30 min soak.