7OU6
Human O-GlcNAc hydrolase in complex with DNJNAc-thiazolidines
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 | 2018-10-11 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 101.288, 101.288, 284.519 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 58.278 - 2.410 |
| Rwork | 0.221 |
| R-free | 0.27140 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5m7r |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.534 |
| Data reduction software | xia2 |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 58.278 | 2.480 |
| High resolution limit [Å] | 2.410 | 2.410 |
| Rmerge | 0.054 | 2.280 |
| Rmeas | 0.056 | 2.356 |
| Rpim | 0.014 | 0.590 |
| Number of reflections | 58274 | 4446 |
| <I/σ(I)> | 26.5 | 1.5 |
| Completeness [%] | 100.0 | |
| Redundancy | 15.8 | |
| CC(1/2) | 1.000 | 0.563 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291.15 | 0.14 - 0.2 M triammonium citrate pH 7.5, 16-20 % PEG 3350 |
