6TEQ
Crystal structure of a galactokinase from Bifidobacterium infantis in complex with 2-deoxy-2-fluoro-galactose
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-09-21 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.916 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 52.218, 164.386, 115.874 |
| Unit cell angles | 90.00, 95.94, 90.00 |
Refinement procedure
| Resolution | 94.550 - 1.440 |
| R-factor | 0.1704 |
| Rwork | 0.169 |
| R-free | 0.20290 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6tep |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.860 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 94.550 | 1.460 |
| High resolution limit [Å] | 1.440 | 1.440 |
| Rmerge | 0.114 | 1.058 |
| Number of reflections | 349052 | 17309 |
| <I/σ(I)> | 4.8 | |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M MES pH 6.0, 0.25 M NaCl and 22 % (w/v) PEG 6000 |
