9O3R
Crystal Structure of I64A 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 | 2024-12-16 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.115840 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 80.522, 151.769, 91.490 |
| Unit cell angles | 90.00, 108.99, 90.00 |
Refinement procedure
| Resolution | 86.512 - 1.539 |
| Rwork | 0.168 |
| R-free | 0.19830 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.620 |
| 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] | 86.512 | 1.580 |
| High resolution limit [Å] | 1.539 | 1.540 |
| Number of reflections | 303202 | 8027 |
| <I/σ(I)> | 10.33 | |
| Completeness [%] | 99.2 | |
| Redundancy | 6.6 | |
| CC(1/2) | 0.998 | 0.356 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.125 M CaCl2, 15% PEG 3350 |
