8Q29
TtX122A - A domain of unknown function from the Teredinibacter turnerae protein TERTU_3803
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-05-01 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97952 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 48.081, 75.167, 69.074 |
Unit cell angles | 90.00, 107.42, 90.00 |
Refinement procedure
Resolution | 49.550 - 1.500 |
Rwork | 0.112 |
R-free | 0.15630 |
Structure solution method | MAD |
RMSD bond length | 0.014 |
RMSD bond angle | 1.779 |
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] | 49.550 | 49.550 | 1.530 |
High resolution limit [Å] | 1.500 | 8.220 | 1.500 |
Rmerge | 0.047 | 0.025 | 0.409 |
Rmeas | 0.060 | 0.032 | 0.523 |
Rpim | 0.037 | 0.019 | 0.322 |
Number of reflections | 73564 | 460 | 3553 |
<I/σ(I)> | 14.5 | ||
Completeness [%] | 98.2 | ||
Redundancy | 4.5 | 4.1 | 4.6 |
CC(1/2) | 0.999 | 0.999 | 0.881 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 292 | 0.1 M magnesium acetate, 15-25% PEG-3350 |