6YCK
Crystal structure of GcoA T296A 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 | 2019-08-21 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97628 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 105.101, 105.101, 113.135 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.280 - 1.800 |
R-factor | 0.1614 |
Rwork | 0.160 |
R-free | 0.18070 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5ncb |
RMSD bond length | 0.006 |
RMSD bond angle | 0.978 |
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] | 28.280 | 1.865 |
High resolution limit [Å] | 1.800 | 1.801 |
Rmerge | 0.150 | |
Number of reflections | 59017 | 5753 |
<I/σ(I)> | 38.36 | 4.96 |
Completeness [%] | 99.8 | |
Redundancy | 2 | |
CC(1/2) | 1.000 | 0.943 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | Na Malonate, HEPES, p-vanillin |