6XTM
Crystal structure reveals non-coordinative binding of O2 to the copper center of the formylglycine-generating enzyme - FGE:Ag:S:O2 complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-10-05 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.982980 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 58.161, 71.909, 76.769 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.359 - 1.250 |
| R-factor | 0.1686 |
| Rwork | 0.168 |
| R-free | 0.18060 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6s07 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.868 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.17.1) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 46.360 | 46.360 | 1.270 |
| High resolution limit [Å] | 1.250 | 6.850 | 1.250 |
| Rmerge | 0.028 | 0.025 | 0.318 |
| Rmeas | 0.030 | 0.026 | 0.332 |
| Rpim | 0.008 | 0.008 | 0.094 |
| Total number of observations | 1166814 | 7428 | 54583 |
| Number of reflections | 89446 | 645 | 4364 |
| <I/σ(I)> | 46.4 | 110.2 | 8.4 |
| Completeness [%] | 99.8 | 99.7 | 99.9 |
| Redundancy | 13 | 11.5 | 12.5 |
| CC(1/2) | 1.000 | 0.999 | 0.977 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 7-12 % PEG 8000, 0.2-0.3 M MgCl2, Tris-HCl |
