5K1J
Human TTR altered by a rhenium tris-carbonyl Pyta-C8 derivative
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 | 2016-04-22 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.175919 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 42.820, 83.100, 65.340 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.550 - 1.690 |
R-factor | 0.17391 |
Rwork | 0.171 |
R-free | 0.22199 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4pme |
RMSD bond length | 0.020 |
RMSD bond angle | 2.027 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.740 |
High resolution limit [Å] | 1.690 | 1.690 |
Rmerge | 0.033 | 0.631 |
Number of reflections | 49863 | |
<I/σ(I)> | 22.92 | 2.22 |
Completeness [%] | 99.1 | 92.4 |
Redundancy | 3.45 | 2.88 |
CC(1/2) | 1.000 |
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% polyethylene glycol 4,000 (PEG4K), 0.14 M imidazole malate, pH 6.0 cryosoak: 40% SM2 (12.5 % ethylene glycol, 12.5 % glycerol, 12.5 % 1,2-propanediol, 25 % DMSO and 37.5% 1,4-dioxane) 50% PEG 8K and 0.2 milli-M of rhenium tris-carbonyl Pyta-C8 derivative. |