6HQT
Crystal structure of GcoA F169V bound to syringol
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 | 2018-05-20 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.9795 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 103.900, 103.900, 115.580 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.504 - 1.850 |
R-factor | 0.1575 |
Rwork | 0.156 |
R-free | 0.17880 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5ncb |
RMSD bond length | 0.007 |
RMSD bond angle | 0.900 |
Data reduction software | xia2 |
Data scaling software | xia2 |
Phasing software | PHASER |
Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 62.000 | 1.900 |
High resolution limit [Å] | 1.850 | 1.850 |
Number of reflections | 544478 | |
<I/σ(I)> | 22.5 | 2.3 |
Completeness [%] | 99.9 | |
Redundancy | 12.7 | |
CC(1/2) | 1.000 | 0.809 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 289 | Sodium malonate, HEPES, syringol |