6IPB
Crystal Structure of the Cofactor-binding Domain of the Human Phase II Drug Metabolism Enzyme UGT2B15
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2018-05-06 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 50.067, 141.824, 56.884 |
| Unit cell angles | 90.00, 115.58, 90.00 |
Refinement procedure
| Resolution | 70.910 - 1.780 |
| R-factor | 0.14749 |
| Rwork | 0.146 |
| R-free | 0.18025 |
| Structure solution method | SAD |
| RMSD bond length | 0.022 |
| RMSD bond angle | 1.964 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALA |
| Phasing software | SHELXCD |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 70.910 | 1.840 |
| High resolution limit [Å] | 1.775 | 1.780 |
| Rmeas | 0.104 | 0.521 |
| Rpim | 0.040 | 0.206 |
| Number of reflections | 64886 | 6779 |
| <I/σ(I)> | 22.64 | 2.737 |
| Completeness [%] | 99.3 | |
| Redundancy | 6.6 | |
| CC(1/2) | 0.991 | 0.902 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 18% PEG 3350, 0.2M Na-Tartrate, 0.2M KCl, 2% glycerol |
