8XVP
Crystal structure of inulosucrase from Lactobacillus reuteri 121
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-03-16 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.23981 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 69.910, 98.690, 139.490 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.420 - 1.980 |
| R-factor | 0.20265 |
| Rwork | 0.200 |
| R-free | 0.24456 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.378 |
| Data reduction software | XDS |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.020 |
| High resolution limit [Å] | 1.980 | 1.980 |
| Rmerge | 0.135 | 1.246 |
| Rmeas | 0.141 | 1.302 |
| Rpim | 0.039 | 0.373 |
| Total number of observations | 53823 | |
| Number of reflections | 68149 | 4528 |
| <I/σ(I)> | 13.8 | 2.1 |
| Completeness [%] | 99.9 | |
| Redundancy | 12.7 | 11.9 |
| CC(1/2) | 0.999 | 0.794 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 289 | 0.2 M Magnesium chloride hexahydrate 0.1 M Tris pH 8.5 25% w/v Polyethylene glycol 3350 |
