7V1W
Difructose dianhydride I synthase/hydrolase (alphaFFase1) from Bifidobacterium dentium in complex with beta-D-arabinofuranose
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-09-09 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 98.451, 156.707, 100.849 |
| Unit cell angles | 90.00, 110.66, 90.00 |
Refinement procedure
| Resolution | 48.770 - 1.860 |
| R-factor | 0.1701 |
| Rwork | 0.168 |
| R-free | 0.20340 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4kq7 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.613 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MoRDa |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.770 | 1.900 |
| High resolution limit [Å] | 1.860 | 1.870 |
| Rmerge | 0.122 | 0.842 |
| Rmeas | 0.132 | 0.912 |
| Rpim | 0.050 | 0.489 |
| Number of reflections | 237104 | 11654 |
| <I/σ(I)> | 10.9 | 2.4 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 6.9 | 6.8 |
| CC(1/2) | 0.997 | 0.811 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 20% PEG3350, 0.2 M di-sodium tartrate |
