7YZS
Crystal structure of the sulfoquinovosyl binding protein SmoF complexed with sulfoquinovose
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 | 2020-01-30 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.9763 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 102.198, 102.198, 67.959 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 88.510 - 1.800 |
Rwork | 0.198 |
R-free | 0.23400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6ofy |
Data reduction software | xia2 |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 88.510 | 1.840 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.179 | |
Number of reflections | 38278 | 2247 |
<I/σ(I)> | 10.1 | |
Completeness [%] | 100.0 | |
Redundancy | 19.2 | |
CC(1/2) | 0.996 | 0.654 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.9 | 283 | 0.1 M NaBr, NaI, 0.1 M imidazole, MES pH 6.9, 13.5% MPD, PEG 1000, PEG 3350 |