8TDI
Structure of P2B11 Glucuronide-3-dehydrogenase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08B1-1 |
| Synchrotron site | CLSI |
| Beamline | 08B1-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-04-14 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 1.18 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 106.260, 185.878, 145.362 |
| Unit cell angles | 90.00, 111.20, 90.00 |
Refinement procedure
| Resolution | 48.370 - 2.600 |
| R-factor | 0.2178 |
| Rwork | 0.216 |
| R-free | 0.25694 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.531 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.370 | 2.640 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.121 | 1.919 |
| Rmeas | 0.130 | 2.074 |
| Rpim | 0.049 | 0.780 |
| Total number of observations | 1108051 | 55713 |
| Number of reflections | 161121 | 7990 |
| <I/σ(I)> | 13.7 | 1 |
| Completeness [%] | 100.0 | |
| Redundancy | 6.9 | 7 |
| CC(1/2) | 0.999 | 0.373 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2 M LiSO4 19% PEG 3350 0.1 M Bis-Tris methane pH 5.5 |
