8Q28
Se-Met labelled TtX122A - A domain of unknown function from the Teredinibacter turnerae protein TERTU_3803
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-06-28 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.97982, 0.98000, 0.96450 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 48.004, 75.443, 69.751 |
Unit cell angles | 90.00, 107.62, 90.00 |
Refinement procedure
Resolution | 49.880 - 1.800 |
Rwork | 0.157 |
R-free | 0.20220 |
Structure solution method | MAD |
RMSD bond length | 0.016 |
RMSD bond angle | 2.119 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | SHELX |
Refinement software | REFMAC (5.8.0419) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 49.880 | 49.880 | 1.840 |
High resolution limit [Å] | 1.800 | 9.000 | 1.800 |
Rmerge | 0.090 | 0.047 | 0.278 |
Rmeas | 0.111 | 0.059 | 0.364 |
Rpim | 0.065 | 0.035 | 0.232 |
Number of reflections | 43829 | 378 | 2508 |
<I/σ(I)> | 20.8 | ||
Completeness [%] | 99.6 | ||
Redundancy | 6 | 5.6 | 4.3 |
CC(1/2) | 0.992 | 0.995 | 0.912 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 292 | 0.1 M magnesium acetate, 15-25% PEG-3350 |