8VFK
Crystal Structure of Delta 109-117 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 | 2022-06-15 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 1.11583 |
Spacegroup name | P 61 |
Unit cell lengths | 75.496, 75.496, 96.720 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 65.380 - 1.590 |
R-factor | 0.1766 |
Rwork | 0.176 |
R-free | 0.18472 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.014 |
RMSD bond angle | 1.569 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 65.380 | 1.620 |
High resolution limit [Å] | 1.590 | 1.590 |
Rmerge | 0.247 | 1.875 |
Rmeas | 0.258 | 1.957 |
Rpim | 0.075 | 0.560 |
Total number of observations | 479440 | 24220 |
Number of reflections | 41389 | 2046 |
<I/σ(I)> | 4.9 | 0.7 |
Completeness [%] | 98.5 | |
Redundancy | 11.6 | 11.8 |
CC(1/2) | 0.993 | 0.469 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | 26-28% PEG 4000, 0.1M Sodium Citrate pH 6.0-6.2, 0.2M Ammonium Acetate |