8E77
rystal structure of Pcryo_0616, the aminotransferase required to synthesize UDP-N-acetyl-3-amino-D-glucosaminuronic acid (UDP-GlcNAc3NA), incomplete with its external aldimine reaction intermediate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | BRUKER D8 QUEST |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-03-17 |
| Detector | Bruker PHOTON II |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 57.708, 96.336, 139.467 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.270 - 1.000 |
| R-factor | 0.1477 |
| Rwork | 0.146 |
| R-free | 0.17420 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 8e75 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.629 |
| Data reduction software | SAINT |
| Data scaling software | SADABS |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0253) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.100 |
| High resolution limit [Å] | 1.000 | 1.000 |
| Number of reflections | 205549 | 49306 |
| <I/σ(I)> | 16.9 | 2 |
| Completeness [%] | 98.7 | 95.9 |
| Redundancy | 8.6 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | Protein incubated with 5 mM UDP-GlcNAc3NA and 1 mM PLP. Precipitant: 18 - 22% poly(ethylene glycol) 8000, 200 mM LiCl, and 100 mM HEPPS (pH 8.0) |
