9I1M
Structure of AauA, a sugar-binding protein with its substrate
This is a non-PDB format compatible entry.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2024-09-09 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.96860 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 76.380, 66.940, 57.850 |
Unit cell angles | 90.00, 94.45, 90.00 |
Refinement procedure
Resolution | 38.900 - 1.350 |
R-factor | 0.1272 |
Rwork | 0.126 |
R-free | 0.14350 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.012 |
RMSD bond angle | 2.022 |
Data reduction software | xia2 |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 38.900 | 1.370 |
High resolution limit [Å] | 1.350 | 1.350 |
Rmerge | 0.028 | |
Number of reflections | 50386 | 574 |
<I/σ(I)> | 29.8 | 7.5 |
Completeness [%] | 79.1 | 18.2 |
Redundancy | 6.2 | 3.2 |
CC(1/2) | 1.000 | 0.980 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 10% PEG 8000 |