8VFO
Crystal Structure of L117G 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] | 90 |
Detector technology | PIXEL |
Collection date | 2023-06-23 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 1.11583 |
Spacegroup name | H 3 |
Unit cell lengths | 80.588, 80.588, 40.123 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 40.290 - 1.350 |
R-factor | 0.167 |
Rwork | 0.166 |
R-free | 0.19300 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.013 |
RMSD bond angle | 1.801 |
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] | 40.290 | 1.370 |
High resolution limit [Å] | 1.350 | 1.350 |
Rmerge | 0.049 | 0.252 |
Rmeas | 0.056 | 0.306 |
Rpim | 0.025 | 0.171 |
Total number of observations | 96387 | 2853 |
Number of reflections | 21271 | 1008 |
<I/σ(I)> | 20.4 | 3 |
Completeness [%] | 99.6 | |
Redundancy | 4.5 | 2.8 |
CC(1/2) | 0.999 | 0.902 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | 20-28% PEG 4000, 0.1M Sodium Citrate, 0.2M Ammonium Acetate |