6T18
ASR Alternansucrase in complex with oligoalternan
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALBA BEAMLINE XALOC |
| Synchrotron site | ALBA |
| Beamline | XALOC |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-05-03 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.979294 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 100.876, 135.654, 239.424 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 3.150 |
| R-factor | 0.2009 |
| Rwork | 0.200 |
| R-free | 0.22630 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6hvg |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.222 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 119.710 | 3.320 |
| High resolution limit [Å] | 3.150 | 3.150 |
| Rmerge | 0.094 | 0.728 |
| Number of reflections | 57606 | 8268 |
| <I/σ(I)> | 7.5 | 1 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 4.4 | 4.5 |
| CC(1/2) | 0.997 | 0.714 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | PEG3350 14% 0.4M NaNO3 |
