6YCL
Crystal structure of GcoA T296G bound to p-vanillin
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 PILATUS 6M |
Wavelength(s) | 0.97955 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 104.021, 104.021, 116.870 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.520 - 1.700 |
R-factor | 0.1662 |
Rwork | 0.165 |
R-free | 0.18440 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5ncb |
RMSD bond length | 0.011 |
RMSD bond angle | 1.013 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.520 | 1.762 |
High resolution limit [Å] | 1.700 | 1.701 |
Rmerge | 0.170 | |
Number of reflections | 70785 | 6961 |
<I/σ(I)> | 25.9 | 4.55 |
Completeness [%] | 100.0 | |
Redundancy | 2 | |
CC(1/2) | 0.956 | 0.956 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | Na Malonate, HEPES, p-vanillin. |