6FUK
Crystal structure of UTX complexed with 5-carboxy-8-hydroxyquinoline
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-11-06 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.999998 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 80.417, 83.261, 92.898 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.449 - 2.000 |
R-factor | 0.1884 |
Rwork | 0.186 |
R-free | 0.22830 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3avs |
RMSD bond length | 0.009 |
RMSD bond angle | 0.806 |
Data reduction software | XDS |
Phasing software | PHENIX |
Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.449 | 5.950 |
High resolution limit [Å] | 2.000 | 2.000 |
Number of reflections | 42377 | 6776 |
<I/σ(I)> | 12.58 | 1.67 |
Completeness [%] | 98.3 | 98.4 |
Redundancy | 3.7 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 277 | 0.1 M Tris-HCl (pH 8.5), Li2 SO4 (0.15-0.25 M), PEG 3350 (20-25% w/v) |