6O1J
Alpha-L-fucosidase AlfC fucosyltransferase mutant N243A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-B |
| Synchrotron site | APS |
| Beamline | 23-ID-B |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-03-05 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.033210 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 80.301, 259.921, 80.350 |
| Unit cell angles | 90.00, 118.81, 90.00 |
Refinement procedure
| Resolution | 47.750 - 2.000 |
| R-factor | 0.2307 |
| Rwork | 0.230 |
| R-free | 0.24260 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6o18 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.460 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.3) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 47.750 | 47.750 | 2.030 |
| High resolution limit [Å] | 2.000 | 10.950 | 2.000 |
| Rmerge | 0.055 | 0.016 | 0.827 |
| Rmeas | 0.070 | 0.021 | 1.074 |
| Rpim | 0.042 | 0.012 | 0.675 |
| Total number of observations | 2928 | 9872 | |
| Number of reflections | 177005 | 1173 | 5559 |
| <I/σ(I)> | 8.5 | 26 | 0.7 |
| Completeness [%] | 91.5 | 96.4 | 58.4 |
| Redundancy | 2.3 | 2.5 | 1.8 |
| CC(1/2) | 0.998 | 0.999 | 0.462 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | 250 nL 20 mg/mL AlfC + 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, harvested in mother liquor + 20% v/v glycerol + 5 mM 4-NP-Fuc for ~1 minute, flash-cooled in liquid nitrogen |
