6XTO
Crystal structure reveals non-coordinative binding of O2 to the copper center of the formylglycine-generating enzyme - FGE:Cu:S:NO 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 | 58.216, 71.925, 76.476 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.944 - 1.400 |
| R-factor | 0.1835 |
| Rwork | 0.183 |
| R-free | 0.19740 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6s07 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.061 |
| 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] | 46.320 | 46.320 | 1.320 |
| High resolution limit [Å] | 1.300 | 7.120 | 1.300 |
| Rmerge | 0.097 | 0.051 | 1.523 |
| Rmeas | 0.103 | 0.054 | 1.607 |
| Rpim | 0.032 | 0.016 | 0.508 |
| Total number of observations | 854872 | 5858 | 38451 |
| Number of reflections | 79498 | 571 | 3896 |
| <I/σ(I)> | 14.9 | 40.9 | 2 |
| Completeness [%] | 99.9 | 99.7 | 100 |
| Redundancy | 10.8 | 10.3 | 9.9 |
| CC(1/2) | 0.995 | 0.997 | 0.774 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 303.15 | 7-12 % PEG 8000, 0.2-0.3 M MgCl2, Tris-HCl |
