6YCM
Crystal structure of GcoA T296S bound to p-vanillin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-08-03 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.9795 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 104.036, 104.036, 116.842 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 52.020 - 1.600 |
R-factor | 0.199 |
Rwork | 0.198 |
R-free | 0.22640 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5ncb |
RMSD bond length | 0.006 |
RMSD bond angle | 0.915 |
Data reduction software | xia2 |
Data scaling software | xia2 |
Phasing software | PHASER |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 52.020 | 1.657 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.050 | 1.118 |
Number of reflections | 83956 | 8286 |
<I/σ(I)> | 20.52 | |
Completeness [%] | 100.0 | |
Redundancy | 2 | |
CC(1/2) | 1.000 | 0.898 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | Na Malonate, HEPES, p-vanillin |