6YCI
Crystal structure of GcoA T296G bound to guaiacol
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-10-22 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.97955 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 104.065, 104.065, 116.731 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.520 - 1.800 |
R-factor | 0.1668 |
Rwork | 0.166 |
R-free | 0.18720 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5ncb |
RMSD bond length | 0.009 |
RMSD bond angle | 1.104 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASES |
Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.525 | 1.862 |
High resolution limit [Å] | 1.798 | 1.798 |
Rmerge | 0.153 | |
Number of reflections | 60018 | 5887 |
<I/σ(I)> | 26.18 | |
Completeness [%] | 99.9 | |
Redundancy | 2 | |
CC(1/2) | 1.000 | 0.957 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | Na Malonate, HEPES, guaiacol |