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. |