6XTQ
Crystal structure reveals non-coordinative binding of O2 to the copper center of the formylglycine-generating enzyme - FGE:Cu:S:O2-1b 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 | 57.909, 70.995, 75.057 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.849 - 1.400 |
| R-factor | 0.1795 |
| Rwork | 0.178 |
| R-free | 0.19830 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6s07 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.004 |
| 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] | 45.850 | 45.850 | 1.420 |
| High resolution limit [Å] | 1.400 | 7.670 | 1.400 |
| Rmerge | 0.047 | 0.020 | 0.858 |
| Rmeas | 0.049 | 0.020 | 0.893 |
| Rpim | 0.013 | 0.006 | 0.243 |
| Total number of observations | 792058 | 4708 | 40240 |
| Number of reflections | 61695 | 452 | 3032 |
| <I/σ(I)> | 30.9 | 99.6 | 3.2 |
| Completeness [%] | 100.0 | 99.8 | 100 |
| Redundancy | 12.8 | 10.4 | 13.3 |
| CC(1/2) | 1.000 | 1.000 | 0.909 |
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 |
