5NE5
Crystal structure of family 47 alpha-1,2-mannosidase from Caulobacter K31 strain in complex with kifunensine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-06-19 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9282 |
| Spacegroup name | H 3 |
| Unit cell lengths | 144.923, 144.923, 50.593 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 36.230 - 1.050 |
| R-factor | 0.146 |
| Rwork | 0.146 |
| R-free | 0.15230 |
| RMSD bond length | 0.021 |
| RMSD bond angle | 1.872 |
| Data reduction software | xia2 |
| Data scaling software | Aimless |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 36.230 | 1.070 |
| High resolution limit [Å] | 1.050 | 1.050 |
| Rmerge | 0.090 | 0.880 |
| Number of reflections | 183579 | 9103 |
| <I/σ(I)> | 7 | 1.1 |
| Completeness [%] | 99.2 | 99.6 |
| Redundancy | 4.7 | 3.5 |
| CC(1/2) | 1.000 | 0.530 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 292 | 0.1 M Bis-Tris pH 6.5, 0.2 M ammonium acetate, 22% (w/v) polyethylene glycol 3350 |
