8VDY
Crystal Structure of Delta 114-117 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] | 290 |
Detector technology | PIXEL |
Collection date | 2023-04-28 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 1.11583 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 99.533, 59.529, 129.976 |
Unit cell angles | 90.00, 107.93, 90.00 |
Refinement procedure
Resolution | 89.840 - 2.440 |
R-factor | 0.25138 |
Rwork | 0.249 |
R-free | 0.30177 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.567 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHENIX |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 89.840 | 2.480 |
High resolution limit [Å] | 2.440 | 2.440 |
Rmerge | 0.267 | 1.363 |
Number of reflections | 51582 | 51582 |
<I/σ(I)> | 4.5 | 1 |
Completeness [%] | 99.8 | 99.7 |
Redundancy | 3.4 | 3.5 |
CC(1/2) | 0.953 | 0.250 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | 26-32% PEG 3350, 0.25-0.275M Ammonium Acetate. |