8VFW
Crystal Structure of V113N D-Dopachrome Tautomerase (D-DT)
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] | 90 |
| Detector technology | PIXEL |
| Collection date | 2023-04-28 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 1.11583 |
| Spacegroup name | P 63 |
| Unit cell lengths | 111.239, 111.239, 65.973 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 96.340 - 1.310 |
| R-factor | 0.1913 |
| Rwork | 0.190 |
| R-free | 0.22153 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.511 |
| Data reduction software | XDS |
| Data scaling software | xia2 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 96.340 | 1.330 |
| High resolution limit [Å] | 1.310 | 1.310 |
| Rmerge | 0.073 | 0.881 |
| Rmeas | 0.075 | 0.945 |
| Rpim | 0.017 | 0.338 |
| Total number of observations | 1906424 | 42192 |
| Number of reflections | 111333 | 5498 |
| <I/σ(I)> | 12.4 | 0.2 |
| Completeness [%] | 99.9 | |
| Redundancy | 17.1 | 7.7 |
| CC(1/2) | 1.000 | 0.767 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 26-32% PEG 4000, 0.1M Sodium Citrate (pH 5.2-6.8), 0.2M Ammonium Acetate |
