8VFN
Crystal Structure of WT D-Dopachrome Tautomerase (D-DT) at 310K
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.3.1 |
| Synchrotron site | ALS |
| Beamline | 8.3.1 |
| Temperature [K] | 310 |
| Detector technology | PIXEL |
| Collection date | 2022-06-15 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 1.11583 |
| Spacegroup name | P 3 |
| Unit cell lengths | 84.292, 84.292, 41.058 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 73.000 - 1.290 |
| R-factor | 0.15976 |
| Rwork | 0.159 |
| R-free | 0.16735 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.682 |
| Data reduction software | XDS |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 73.000 | 1.310 |
| High resolution limit [Å] | 1.290 | 1.290 |
| Rmerge | 0.091 | 1.423 |
| Rmeas | 0.096 | 1.618 |
| Rpim | 0.031 | 0.747 |
| Total number of observations | 733239 | 14401 |
| Number of reflections | 80478 | 3235 |
| <I/σ(I)> | 11.4 | 0.5 |
| Completeness [%] | 97.9 | |
| Redundancy | 9.1 | 4.5 |
| CC(1/2) | 0.999 | 0.329 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 24-30% PEG 4000, 0.1M Sodium Citrate (pH 5.6-6.0), 0.2M Ammonium Acetate |
