6XTM
Crystal structure reveals non-coordinative binding of O2 to the copper center of the formylglycine-generating enzyme - FGE:Ag:S:O2 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 EIGER X 16M |
Wavelength(s) | 0.982980 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 58.161, 71.909, 76.769 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.359 - 1.250 |
R-factor | 0.1686 |
Rwork | 0.168 |
R-free | 0.18060 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6s07 |
RMSD bond length | 0.005 |
RMSD bond angle | 0.868 |
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 | 1.270 |
High resolution limit [Å] | 1.250 | 6.850 | 1.250 |
Rmerge | 0.028 | 0.025 | 0.318 |
Rmeas | 0.030 | 0.026 | 0.332 |
Rpim | 0.008 | 0.008 | 0.094 |
Total number of observations | 1166814 | 7428 | 54583 |
Number of reflections | 89446 | 645 | 4364 |
<I/σ(I)> | 46.4 | 110.2 | 8.4 |
Completeness [%] | 99.8 | 99.7 | 99.9 |
Redundancy | 13 | 11.5 | 12.5 |
CC(1/2) | 1.000 | 0.999 | 0.977 |
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 |