8VG7
Crystal Structure of T115A Variant of 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] | 280 |
| Detector technology | PIXEL |
| Collection date | 2022-08-13 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 1.11583 |
| Spacegroup name | H 3 |
| Unit cell lengths | 82.281, 82.281, 40.732 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 41.140 - 1.240 |
| R-factor | 0.10091 |
| Rwork | 0.100 |
| R-free | 0.12343 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.948 |
| 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] | 41.140 | 1.260 |
| High resolution limit [Å] | 1.240 | 1.240 |
| Rmerge | 0.070 | 0.269 |
| Rmeas | 0.079 | 0.334 |
| Rpim | 0.035 | 0.195 |
| Total number of observations | 137298 | 3585 |
| Number of reflections | 29080 | 1387 |
| <I/σ(I)> | 14.2 | 3.1 |
| Completeness [%] | 99.8 | |
| Redundancy | 4.7 | 2.6 |
| CC(1/2) | 0.996 | 0.875 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 28-30% PEG 4000, 0.1M Sodium Citrate pH 5.8-6.2, 0.2M Ammonium Acetate |
