5VVO
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-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 80 |
| Detector technology | CCD |
| Collection date | 2017-03-31 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.978 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 82.404, 96.830, 89.075 |
| Unit cell angles | 90.00, 115.24, 90.00 |
Refinement procedure
| Resolution | 80.570 - 2.600 |
| R-factor | 0.21528 |
| Rwork | 0.213 |
| R-free | 0.25873 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5tke |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.620 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 80.570 | 2.640 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.084 | 0.631 |
| Number of reflections | 38896 | 1820 |
| <I/σ(I)> | 21.9 | 2 |
| Completeness [%] | 99.3 | 93.3 |
| Redundancy | 6.3 | 5.7 |
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 |
