5VVU
Structural Investigations of the Substrate Specificity of Human O-GlcNAcase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-G |
| Synchrotron site | APS |
| Beamline | 21-ID-G |
| Temperature [K] | 80 |
| Detector technology | CCD |
| Collection date | 2017-04-15 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.978 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 82.507, 96.060, 88.968 |
| Unit cell angles | 90.00, 114.51, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.700 |
| R-factor | 0.21091 |
| Rwork | 0.208 |
| R-free | 0.27549 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5un8 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.592 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0131) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.010 | 2.750 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rpim | 0.043 | 0.410 |
| Number of reflections | 34865 | 1705 |
| <I/σ(I)> | 22 | 1.6 |
| Completeness [%] | 99.8 | 97.3 |
| Redundancy | 4.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 293 | 0.024 M ammonium citrate tribasic (pH 7.0), 0.015 M MES monohydrate, 0.096 M potassium thiocyanate, 0.25 M Sodium acetate trihydrate, 0.037 M imidazole, 0.002 M zinc sulfate heptahydrate, 9.6 % w/v polyethylene glycol 3,350, 2.4 % w/v polyethylene glycol monomethyl ether 2,000, and 4% w/v polyethylene glycol monomethyl ether 550 |
