6SZI
ASR Alternansucrase in complex with isomaltose
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-02-01 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.972422 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 100.739, 134.691, 236.045 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 118.020 - 3.000 |
| R-factor | 0.2093 |
| Rwork | 0.208 |
| R-free | 0.23740 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6hvg |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.332 |
| 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] | 118.020 | 3.160 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rmerge | 0.115 | 0.766 |
| Number of reflections | 65077 | 9380 |
| <I/σ(I)> | 6.1 | |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 6.8 | 7 |
| CC(1/2) | 0.998 | 0.847 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 285 | PEG3350 14% 0.4M NaNO3 |
