6X95
2-deoxy-glucose-bound structure of Marinomonas primoryensis PA14 carbohydrate-binding domain
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08ID-1 |
| Synchrotron site | CLSI |
| Beamline | 08ID-1 |
| Temperature [K] | 93 |
| Detector technology | PIXEL |
| Collection date | 2019-12-07 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.97949 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 45.190, 50.030, 77.790 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.080 - 1.100 |
| R-factor | 0.1569 |
| Rwork | 0.156 |
| R-free | 0.16910 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5j6y |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.189 |
| Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.080 | 1.000 |
| High resolution limit [Å] | 0.960 | 0.960 |
| Rmeas | 0.058 | |
| Rpim | 3.130 | |
| Number of reflections | 103370 | 7163 |
| <I/σ(I)> | 17.1 | |
| Completeness [%] | 96.3 | 67.7 |
| Redundancy | 10.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 7 | 298 | 0.2 M calcium chloride, 0.1 M HEPES (pH 7), 20% (v/v) polyethylene glycol 3350 and ~ 30 % (w/v) 2-deoxy glucose |
