6L8X
Crystal structure of Siraitia grosvenorii ugt transferase mutant2
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 | 2019-10-20 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 50.614, 69.042, 143.991 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 24.010 - 1.550 |
| R-factor | 0.1899 |
| Rwork | 0.188 |
| R-free | 0.21840 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2pq6 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.384 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MrBUMP |
| Refinement software | REFMAC (5.8.0257) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 25.000 | 25.000 | 1.610 |
| High resolution limit [Å] | 1.550 | 3.340 | 1.550 |
| Rmerge | 0.119 | 0.099 | 0.698 |
| Rmeas | 0.123 | 0.102 | 0.754 |
| Rpim | 0.032 | 0.026 | 0.279 |
| Total number of observations | 956690 | ||
| Number of reflections | 71652 | 7766 | 6408 |
| <I/σ(I)> | 10 | ||
| Completeness [%] | 96.4 | 99.2 | 87.9 |
| Redundancy | 13.4 | 15.1 | 6.5 |
| CC(1/2) | 0.994 | 0.867 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 295 | PEG8000, MgAc |
