6XTL
Crystal structure reveals non-coordinative binding of O2 to the copper center of the formylglycine-generating enzyme - FGE:Ag:S 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 | 58.283, 72.009, 76.680 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.401 - 1.800 |
| R-factor | 0.1795 |
| Rwork | 0.177 |
| R-free | 0.22320 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6s07 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.816 |
| 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] | 46.410 | 46.410 | 1.840 |
| High resolution limit [Å] | 1.800 | 9.000 | 1.800 |
| Rmerge | 0.168 | 0.052 | 0.815 |
| Rmeas | 0.175 | 0.055 | 0.850 |
| Rpim | 0.050 | 0.017 | 0.239 |
| Total number of observations | 378075 | 3402 | 22261 |
| Number of reflections | 30598 | 305 | 1794 |
| <I/σ(I)> | 14 | 35.6 | 3.5 |
| Completeness [%] | 99.9 | 99.7 | 99.7 |
| Redundancy | 12.4 | 11.2 | 12.4 |
| CC(1/2) | 0.997 | 0.999 | 0.846 |
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 |
