9IBT
Branching Sucrase Brs-B in complex with isomaltopentaose in the active site (alternative conformation)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE MASSIF-3 |
| Synchrotron site | ESRF |
| Beamline | MASSIF-3 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-12-09 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9677 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 253.639, 253.639, 344.433 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 48.412 - 3.300 |
| Rwork | 0.201 |
| R-free | 0.22520 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.900 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.480 |
| High resolution limit [Å] | 3.300 | 3.300 |
| Rmerge | 0.189 | |
| Number of reflections | 63973 | 9290 |
| <I/σ(I)> | 3.7 | 1 |
| Completeness [%] | 100.0 | |
| Redundancy | 8.6 | |
| CC(1/2) | 0.820 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 285 | 0.1M SPG Buffer pH 7, 20% PEG 1500 |
