6FUL
Crystal structure of UTX complexed with 5-hydroxy-4-keto-1-methyl-picolinate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-09-21 |
Detector | DECTRIS PILATUS 2M-F |
Wavelength(s) | 0.999990 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 79.181, 82.801, 93.156 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.761 - 1.649 |
R-factor | 0.1779 |
Rwork | 0.176 |
R-free | 0.20790 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3avs |
RMSD bond length | 0.007 |
RMSD bond angle | 0.803 |
Data reduction software | XDS |
Phasing software | PHENIX |
Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.761 | 4.920 |
High resolution limit [Å] | 1.649 | 1.649 |
Number of reflections | 138199 | 22076 |
<I/σ(I)> | 8.02 | |
Completeness [%] | 96.9 | 95.8 |
Redundancy | 1.96 | 1.9 |
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) |