2JIW
Bacteroides thetaiotaomicron GH84 O-GlcNAcase in complex with 2- Acetylamino-2-deoxy-1-epivalienamine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-2 |
| Synchrotron site | ESRF |
| Beamline | ID14-2 |
| Temperature [K] | 120 |
| Collection date | 2007-02-02 |
| Spacegroup name | P 1 |
| Unit cell lengths | 51.398, 94.131, 99.808 |
| Unit cell angles | 104.97, 94.09, 102.48 |
Refinement procedure
| Resolution | 95.350 - 1.950 |
| R-factor | 0.208 |
| Rwork | 0.206 |
| R-free | 0.24800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.394 |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.060 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.090 | 0.530 |
| Number of reflections | 127497 | |
| <I/σ(I)> | 8.3 | 1.6 |
| Completeness [%] | 97.0 | 94 |
| Redundancy | 2.5 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 9 | 20% PEG20K,2% DIOXANE,0.1M BICINE PH 9.0 |
