6S07
Structure of formylglycine-generating enzyme at 1.04 A in complex with copper and substrate reveals an acidic pocket for binding and acti-vation of molecular oxygen.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-12-17 |
| Detector | DECTRIS PILATUS 2M-F |
| Wavelength(s) | 0.999997273308 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 58.409, 71.939, 76.733 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.476 - 1.040 |
| R-factor | 0.1733 |
| Rwork | 0.173 |
| R-free | 0.18010 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5nxl |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.947 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.3) |
| Phasing software | PHASER (1.12) |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 46.480 | 46.480 | 1.060 |
| High resolution limit [Å] | 1.040 | 5.700 | 1.040 |
| Rmerge | 0.056 | 0.040 | 0.660 |
| Rmeas | 0.059 | 0.042 | 0.695 |
| Rpim | 0.017 | 0.012 | 0.216 |
| Total number of observations | 1883544 | ||
| Number of reflections | 155236 | 1084 | 7587 |
| <I/σ(I)> | 19.5 | 3.5 | |
| Completeness [%] | 100.0 | 99.3 | 100 |
| Redundancy | 12.1 | 11.4 | 10.1 |
| CC(1/2) | 0.999 | 0.997 | 0.909 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 10 % PEG 8000, Tris-HCl (0.1 M, pH 7.0) and MgCl2 (0.2 M) |
