9KB3
The structure of the carbohydrate deacetylase inactive mutant PpOngB in complex with GlcNAc1A.
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-03-02 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.8266 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 86.818, 86.818, 141.644 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 66.410 - 2.290 |
| R-factor | 0.1762 |
| Rwork | 0.173 |
| R-free | 0.21930 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.927 |
| Data reduction software | autoPROC |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | PHENIX (1.17) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 75.190 | 2.370 |
| High resolution limit [Å] | 1.210 | 2.290 |
| Number of reflections | 28386 | 28386 |
| <I/σ(I)> | 9.4 | |
| Completeness [%] | 100.0 | |
| Redundancy | 1 | |
| CC(1/2) | 0.995 | 0.995 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | 0.5 M ammonium sulfate, 0.1 M sodium citrate tribasic dihydrate (pH 6.0) and 1.0 M lithium sulfate monohydrate |
