5BNW
The active site of O-GlcNAc transferase imposes constraints on substrate sequence
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 | 2015-05-09 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.92 |
| Spacegroup name | F 2 2 2 |
| Unit cell lengths | 138.183, 150.176, 199.241 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.400 |
| R-factor | 0.18981 |
| Rwork | 0.187 |
| R-free | 0.23517 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3pe4 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.492 |
| Data reduction software | XDS (0.5) |
| Data scaling software | SCALA (3.3.21) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.530 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.104 | 0.719 |
| Number of reflections | 40463 | |
| <I/σ(I)> | 11.8 | 2.4 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 6.5 | 6.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.4 | 294 | 1.3 M DL-Malic acid pH 6.4, 0.1 M Bis-Tris propane pH 6.4 supplemented with crystal seeds grown out of the same condition. |
