9O3S
Crystal Structure of R36A Variant of D-Dopachrome Tautomerase (D-DT)
This is a non-PDB format compatible entry.
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 | 2024-11-16 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.11584 |
| Spacegroup name | P 1 |
| Unit cell lengths | 48.970, 49.252, 142.747 |
| Unit cell angles | 84.63, 86.40, 61.06 |
Refinement procedure
| Resolution | 71.147 - 1.640 |
| Rwork | 0.169 |
| R-free | 0.21000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.651 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 71.150 | 1.680 |
| High resolution limit [Å] | 1.360 | 1.640 |
| Number of reflections | 234563 | 9428 |
| <I/σ(I)> | 6.65 | |
| Completeness [%] | 99.2 | |
| Redundancy | 3.6 | |
| CC(1/2) | 0.996 | 0.048 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.25 CaAcO, 22.5% PEG 3350 |
