7KHV
CpOGA IN COMPLEX WITH LIGAND 54
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-11-21 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1.00000 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 149.489, 178.104, 407.054 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 203.530 - 2.300 |
| R-factor | 0.2067 |
| Rwork | 0.206 |
| R-free | 0.24710 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | previously solved C. perfringens O-GlcNAcase structure |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.410 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 203.530 | 2.550 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.113 | 0.441 |
| Rmeas | 0.126 | 0.493 |
| Number of reflections | 225325 | 60523 |
| <I/σ(I)> | 12.12 | 3.8 |
| Completeness [%] | 94.2 | 95.8 |
| Redundancy | 5.1 | 4.8 |
| CC(1/2) | 0.995 | 0.866 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6.6 | 293 | 2.4M Ammonium Sulfate, 0.1M Hepes |
