5NPS
The human O-GlcNAc transferase in complex with a bisubstrate inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE MASSIF-1 |
| Synchrotron site | ESRF |
| Beamline | MASSIF-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-11-10 |
| Detector | DECTRIS PILATUS3 2M |
| Wavelength(s) | 0.98 |
| Spacegroup name | F 2 2 2 |
| Unit cell lengths | 137.869, 151.333, 200.478 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.100 - 1.680 |
| R-factor | 0.1942 |
| Rwork | 0.193 |
| R-free | 0.22143 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.244 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.28) |
| Phasing software | MOLREP (11.4.06) |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.100 | 1.710 |
| High resolution limit [Å] | 1.680 | 1.680 |
| Rmerge | 0.050 | 1.285 |
| Rpim | 0.040 | 0.979 |
| Number of reflections | 117257 | |
| <I/σ(I)> | 13 | 1 |
| Completeness [%] | 99.3 | 99.9 |
| Redundancy | 4.7 | 4.8 |
| CC(1/2) | 0.990 | 0.450 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.4 | 295 | 1.3 M DL-Malic acid, 0.1 M Bis-Tris propane pH 6.4 + seeds generated out of this condition |
