6XTP
Crystal structure reveals non-coordinative binding of O2 to the copper center of the formylglycine-generating enzyme - FGE:Cu:S:O2-1a 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 | 57.327, 70.971, 75.640 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.688 - 1.800 |
| R-factor | 0.2452 |
| Rwork | 0.243 |
| R-free | 0.29100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6s07 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.902 |
| 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] | 45.690 | 45.690 | 1.840 |
| High resolution limit [Å] | 1.800 | 9.000 | 1.800 |
| Rmerge | 0.092 | 0.039 | 0.566 |
| Rmeas | 0.098 | 0.041 | 0.603 |
| Rpim | 0.031 | 0.012 | 0.203 |
| Total number of observations | 272094 | 2982 | 13730 |
| Number of reflections | 26230 | 287 | 1675 |
| <I/σ(I)> | 16.3 | 43.7 | 2.3 |
| Completeness [%] | 89.5 | 99.7 | 99.5 |
| Redundancy | 10.4 | 10.4 | 8.2 |
| CC(1/2) | 0.997 | 0.999 | 0.908 |
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 |
