6L8Z
Crystal structure of ugt transferase mutant in complex with UPG
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 | 49.311, 69.153, 141.148 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 24.710 - 2.100 |
| R-factor | 0.2148 |
| Rwork | 0.212 |
| R-free | 0.26550 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2pq6 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.396 |
| 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 | 2.180 |
| High resolution limit [Å] | 2.100 | 4.520 | 2.100 |
| Rmerge | 0.070 | 0.043 | 0.679 |
| Rmeas | 0.076 | 0.046 | 0.723 |
| Rpim | 0.027 | 0.017 | 0.244 |
| Total number of observations | 229901 | ||
| Number of reflections | 28011 | 3008 | 2765 |
| <I/σ(I)> | 12 | ||
| Completeness [%] | 96.0 | 96.4 | 96.6 |
| Redundancy | 8.2 | 7.4 | 8.6 |
| CC(1/2) | 0.998 | 0.870 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 295 | PEG8000, MgAc |
