5VVX
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 | 2017-04-15 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.978 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 82.922, 96.222, 89.653 |
| Unit cell angles | 90.00, 114.56, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.900 |
| R-factor | 0.20382 |
| Rwork | 0.200 |
| R-free | 0.28221 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5tke |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.535 |
| 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] | 50.000 | 2.950 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Rmerge | 0.089 | 0.690 |
| Number of reflections | 28990 | 1384 |
| <I/σ(I)> | 20.4 | 1.8 |
| Completeness [%] | 99.8 | 98.9 |
| Redundancy | 4.6 | 4.5 |
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 |
