6HKI
Crystal structure of surface entropy mutant of human O-GlcNAc hydrolase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-02-27 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9282 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 222.168, 222.168, 72.396 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 192.400 - 3.300 |
| R-factor | 0.17222 |
| Rwork | 0.169 |
| R-free | 0.23358 |
| Starting model (for MR) | 5m7r |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.578 |
| Data reduction software | xia2 |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0230) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 192.400 | 3.300 |
| High resolution limit [Å] | 3.300 | 3.300 |
| Rpim | 0.110 | 0.620 |
| Number of reflections | 31103 | 4440 |
| <I/σ(I)> | 7.3 | 1.8 |
| Completeness [%] | 99.8 | 98.6 |
| Redundancy | 16.8 | 17.1 |
| CC(1/2) | 0.990 | 0.670 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 291 | 0.2 M sodium citrate tribasic, 17% polyethylene glycol 3350 |
