7OU8
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 I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-02-12 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9159 |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 51.530, 160.621, 224.514 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 75.620 - 1.500 |
| Rwork | 0.209 |
| R-free | 0.23160 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5m7r |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.737 |
| Data reduction software | xia2 |
| Data scaling software | Aimless |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 75.620 | 1.530 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.071 | 0.814 |
| Rmeas | 0.076 | 0.896 |
| Rpim | 0.027 | 0.371 |
| Number of reflections | 298134 | 14662 |
| <I/σ(I)> | 12.3 | 1.5 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 7.5 | 5.8 |
| CC(1/2) | 0.999 | 0.650 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 292 | 0.14 - 0.2 M triammonium citrate pH 7.5, 16-20 % PEG 3350 |
