6XLS
The 1.80 Angstrom crystal structure of galactose oxidase variant with genetically incorporated F2-Tyr272
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-03-09 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97946 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 97.228, 89.162, 86.159 |
Unit cell angles | 90.00, 117.94, 90.00 |
Refinement procedure
Resolution | 41.619 - 1.797 |
R-factor | 0.1489 |
Rwork | 0.148 |
R-free | 0.18350 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1gog |
RMSD bond length | 0.007 |
RMSD bond angle | 1.066 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER (1GOG) |
Refinement software | PHENIX (1.9) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.840 |
High resolution limit [Å] | 1.797 | 4.440 | 1.800 |
Rmerge | 0.125 | 0.096 | 0.830 |
Rmeas | 0.144 | 0.111 | 0.979 |
Rpim | 0.071 | 0.054 | 0.509 |
Number of reflections | 59316 | 4059 | 3897 |
<I/σ(I)> | 5.5 | ||
Completeness [%] | 98.4 | 98.9 | 97.7 |
Redundancy | 3.8 | 3.9 | 3.5 |
CC(1/2) | 0.982 | 0.555 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 295 | 10% PEG 6000, 0.1 M CaCl2, 5% glycerol, 10 mM N-Acetylglucosamine and 50 mM acetic acid |