Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-05-06 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.979499 |
Spacegroup name | P 21 2 21 |
Unit cell lengths | 42.439, 62.896, 85.593 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.683 - 1.550 |
Rwork | 0.182 |
R-free | 0.22700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | In-house E. coli TTR structure |
RMSD bond length | 0.018 |
RMSD bond angle | 1.985 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.683 | 8.490 |
High resolution limit [Å] | 1.550 | 1.550 |
Rmerge | 0.045 | 0.605 |
Rmeas | 0.048 | 0.751 |
Rpim | 0.019 | 0.437 |
Number of reflections | 33691 | 1472 |
<I/σ(I)> | 21.7 | 1.4 |
Completeness [%] | 99.0 | 89.3 |
Redundancy | 11.5 | 5 |
CC(1/2) | 1.000 | 0.772 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 291.15 | 11.6 mg/mL protein in PBS pH 7.4 mixed 1:1 with MgFormate 0.1 M, 24 % PEG1000. |