5M7S
Structure of human O-GlcNAc hydrolase with bound transition state analog ThiametG
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-04-18 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 101.908, 101.908, 282.799 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 96.060 - 2.400 |
| R-factor | 0.2078 |
| Rwork | 0.207 |
| R-free | 0.23220 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.609 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 96.060 | 2.470 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.121 | 2.857 |
| Rpim | 0.035 | 0.847 |
| Number of reflections | 59331 | |
| <I/σ(I)> | 13.4 | 1 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 12.6 | 11.7 |
| CC(1/2) | 0.463 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 292 | 0.1-0.2 M tri ammonium citrate pH 7.5 16-20 % PEG 3350 |
