6XTS
Crystal structure reveals non-coordinative binding of O2 to the copper center of the formylglycine-generating enzyme - FGE:Cu:S:O2-1d 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 PILATUS 2M-F |
| Wavelength(s) | 1.0006777109999108 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 58.104, 72.222, 76.886 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.356 - 1.200 |
| R-factor | 0.2006 |
| Rwork | 0.200 |
| R-free | 0.21590 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6s07 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.124 |
| 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 | 1.220 |
| High resolution limit [Å] | 1.200 | 6.570 | 1.200 |
| Rmerge | 0.052 | 0.025 | 0.783 |
| Rmeas | 0.054 | 0.026 | 0.818 |
| Rpim | 0.015 | 0.008 | 0.235 |
| Total number of observations | 1237436 | 7798 | 59278 |
| Number of reflections | 99101 | 722 | 4986 |
| <I/σ(I)> | 27 | 92.8 | 3.4 |
| Completeness [%] | 97.5 | 99.8 | 99.9 |
| Redundancy | 12.5 | 10.8 | 11.9 |
| CC(1/2) | 1.000 | 1.000 | 0.933 |
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 |
