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) |