2CHN
Bacteroides thetaiotaomicron hexosaminidase with O-GlcNAcase activity- NAG-thiazoline complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | MARRESEARCH |
| Spacegroup name | P 1 |
| Unit cell lengths | 51.714, 94.544, 99.479 |
| Unit cell angles | 75.34, 93.86, 77.07 |
Refinement procedure
| Resolution | 39.840 - 1.950 |
| R-factor | 0.187 |
| Rwork | 0.185 |
| R-free | 0.22600 |
| Structure solution method | SAD |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.548 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.000 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.090 | 0.450 |
| Number of reflections | 117950 | |
| <I/σ(I)> | 12 | 3 |
| Completeness [%] | 98.0 | 97 |
| Redundancy | 4 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6 | 0.5M NA ACETATE, 15% PEG 3500, 0.1M MES PH6, 20% GLYCEROL, pH 6.00 |
