6XLR
The 1.23 Angstrom crystal structure of galactose oxidase variant with genetically incorporated Cl2-Tyr272
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2019-08-14 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.97919 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 97.204, 88.977, 85.967 |
| Unit cell angles | 90.00, 117.91, 90.00 |
Refinement procedure
| Resolution | 31.587 - 1.230 |
| R-factor | 0.1552 |
| Rwork | 0.155 |
| R-free | 0.17150 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1gog |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.163 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.260 |
| High resolution limit [Å] | 1.230 | 3.030 | 1.230 |
| Rmerge | 0.081 | 0.050 | 0.489 |
| Rmeas | 0.092 | 0.057 | 0.563 |
| Rpim | 0.042 | 0.027 | 0.273 |
| Total number of observations | 904404 | ||
| Number of reflections | 186045 | 12094 | 12396 |
| <I/σ(I)> | 6.7 | ||
| Completeness [%] | 99.7 | 95.7 | 99.9 |
| Redundancy | 4.9 | 4.7 | 4.2 |
| CC(1/2) | 0.991 | 0.793 |
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 |
