6T1P
ASR Alternansucrase in complex with isomaltononaose
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 | 2018-04-04 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9979 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 100.567, 135.212, 237.201 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 118.600 - 3.500 |
| R-factor | 0.2093 |
| Rwork | 0.207 |
| R-free | 0.26570 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6hvg |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.250 |
| 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] | 118.600 | 3.690 |
| High resolution limit [Å] | 3.500 | 3.500 |
| Rmerge | 0.149 | 0.765 |
| Number of reflections | 39240 | 4793 |
| <I/σ(I)> | 4.9 | 1 |
| Completeness [%] | 94.9 | 80.7 |
| Redundancy | 4.8 | |
| CC(1/2) | 0.996 | 0.712 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 285 | PEG3350 14% 0.4M NaNO3 |
