6L90
Crystal structure of ugt transferase enzyme
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 | 50.832, 68.877, 143.908 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.000 - 2.020 |
| R-factor | 0.2199 |
| Rwork | 0.217 |
| R-free | 0.27590 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2pq6 |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.141 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0257) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 25.000 | 25.000 | 2.090 |
| High resolution limit [Å] | 2.020 | 4.350 | 2.020 |
| Rmerge | 0.081 | 0.039 | 0.762 |
| Rmeas | 0.087 | 0.042 | 0.822 |
| Rpim | 0.031 | 0.016 | 0.305 |
| Total number of observations | 261957 | ||
| Number of reflections | 33929 | 3615 | 3345 |
| <I/σ(I)> | 11.6 | ||
| Completeness [%] | 99.9 | 99.6 | 99.9 |
| Redundancy | 7.7 | 7.1 | 7.3 |
| CC(1/2) | 0.999 | 0.836 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 295 | PEG8000, MgAc |
