6XTN
Crystal structure reveals non-coordinative binding of O2 to the copper center of the formylglycine-generating enzyme - FGE:Ag: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 EIGER X 16M |
Wavelength(s) | 0.982980 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 58.299, 71.898, 76.919 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.462 - 1.400 |
R-factor | 0.1705 |
Rwork | 0.169 |
R-free | 0.19560 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6s07 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.015 |
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] | 46.462 | 46.460 | 1.420 |
High resolution limit [Å] | 1.400 | 7.540 | 1.400 |
Rmerge | 0.056 | 0.027 | 0.657 |
Rmeas | 0.058 | 0.029 | 0.682 |
Rpim | 0.016 | 0.008 | 0.184 |
Total number of observations | 5686 | 44192 | |
Number of reflections | 64363 | 492 | 3245 |
<I/σ(I)> | 25.8 | 65.7 | 4.4 |
Completeness [%] | 100.0 | 99.7 | 99.9 |
Redundancy | 13.1 | 11.6 | 13.6 |
CC(1/2) | 1.000 | 1.000 | 0.930 |
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 |