6OHE
Alpha-L-fucosidase AlfC D200A in complex with Fuca(1,6)GlcNAc
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS-II BEAMLINE 17-ID-2 |
| Synchrotron site | NSLS-II |
| Beamline | 17-ID-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-02-15 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.979330 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 89.022, 139.251, 263.375 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.760 - 3.140 |
| R-factor | 0.2795 |
| Rwork | 0.279 |
| R-free | 0.29860 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6o18 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.259 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 29.760 | 29.760 | 3.330 |
| High resolution limit [Å] | 3.140 | 9.420 | 3.140 |
| Rmerge | 0.189 | 0.070 | 1.568 |
| Rmeas | 0.211 | 0.079 | 1.755 |
| Rpim | 0.092 | 0.035 | 0.775 |
| Total number of observations | 143330 | ||
| Number of reflections | 28950 | 1116 | 4624 |
| <I/σ(I)> | 6 | ||
| Completeness [%] | 99.7 | 95.8 | 99.9 |
| Redundancy | 5 | 4.5 | 4.9 |
| CC(1/2) | 0.994 | 0.994 | 0.447 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 250 nL 20 mg/mL AlfC D200A + 250 nL mother liquor (18% w/v PEG3350, 0.1 M Bis-Tris propane, pH 7, 20 mM sodium/potassium phosphate, 1% v/v glycerol), crystals appeared after five days, unliganded crystals were harvested in mother liquor supplemented with 20% v/v glycerol for cryoprotection and 10 mM Fuca(1,6)GlcNAc for ~1 minute, flash-cooled in liquid nitrogen |
