2WB5
GlcNAcstatins are nanomolar inhibitors of human O-GlcNAcase inducing cellular hyper-O-GlcNAcylation
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 |
| Collection date | 2008-09-05 |
| Detector | ADSC CCD |
| Spacegroup name | I 21 21 21 |
| Unit cell lengths | 129.817, 145.723, 152.331 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.950 - 2.310 |
| R-factor | 0.18683 |
| Rwork | 0.186 |
| R-free | 0.23691 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2j62 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.473 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.4.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.950 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.070 | 0.570 |
| Number of reflections | 62941 | |
| <I/σ(I)> | 12.1 | 1.8 |
| Completeness [%] | 98.2 | 95.1 |
| Redundancy | 3.7 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 30% PEG 8000, 0.2 M AMMONIUM SULFATE, 0.1 M SODIUM COCADYLATE, pH 6.5 |
