8XVR
Crystal structure of inulosucrase from Lactobacillus reuteri 121 mutant R544W
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17B1 |
| Synchrotron site | SSRF |
| Beamline | BL17B1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-06-13 |
| Detector | DECTRIS PILATUS3 S 2M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 92.570, 132.080, 121.780 |
| Unit cell angles | 90.00, 110.29, 90.00 |
Refinement procedure
| Resolution | 41.590 - 2.440 |
| R-factor | 0.18144 |
| Rwork | 0.180 |
| R-free | 0.21558 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.490 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.590 | 2.480 |
| High resolution limit [Å] | 2.440 | 2.440 |
| Rmerge | 0.147 | 0.529 |
| Rmeas | 0.159 | 0.592 |
| Rpim | 0.061 | 0.259 |
| Total number of observations | 20006 | |
| Number of reflections | 100399 | 4148 |
| <I/σ(I)> | 11 | 2.7 |
| Completeness [%] | 98.4 | |
| Redundancy | 6.6 | 4.8 |
| CC(1/2) | 0.993 | 0.837 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 289 | 20% PEG3000 200 mM Sodium acetate Acetic acid pH 4.5 |
