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 |