6TR4
Ruminococcus gnavus GH29 fucosidase E1_10125 D221A mutant in complex with fucose
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-09-10 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 1 |
| Unit cell lengths | 49.780, 74.060, 76.509 |
| Unit cell angles | 82.47, 80.43, 70.41 |
Refinement procedure
| Resolution | 69.640 - 1.450 |
| R-factor | 0.1416 |
| Rwork | 0.141 |
| R-free | 0.16050 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4oue |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.432 |
| Data reduction software | xia2 |
| Data scaling software | Aimless (0.7.2) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 69.640 | 69.540 | 1.470 |
| High resolution limit [Å] | 1.450 | 7.940 | 1.450 |
| Rmerge | 0.043 | 0.029 | 0.111 |
| Rmeas | 0.060 | 0.041 | 0.157 |
| Rpim | 0.043 | 0.029 | 0.111 |
| Total number of observations | 2183 | 9304 | |
| Number of reflections | 166349 | 1101 | 5066 |
| <I/σ(I)> | 12.7 | 28.9 | 3.4 |
| Completeness [%] | 92.7 | 99.6 | 56.9 |
| Redundancy | 2 | 2 | 1.8 |
| CC(1/2) | 0.995 | 0.995 | 0.955 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 273 | 2 M magnesium chloride, 25% PEG 3350, 0.1 M bis-tris pH 5.5, 10mM 2FL |
