6FOQ
The crystal structure of EncM complexed with dioxygen under 15 bar of oxygen pressure.
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 | 2017-08-29 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.0 |
Spacegroup name | C 2 2 2 |
Unit cell lengths | 163.824, 175.153, 131.916 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.484 - 1.386 |
R-factor | 0.1932 |
Rwork | 0.192 |
R-free | 0.21230 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4xlo |
RMSD bond length | 0.011 |
RMSD bond angle | 1.227 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX ((1.11rc1_2513: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.484 | 48.480 |
High resolution limit [Å] | 1.386 | 1.390 |
Number of reflections | 359223 | |
<I/σ(I)> | 12.3 | |
Completeness [%] | 94.7 | |
Redundancy | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.7 | 295 | 0.1M HEPES-Na (pH 7.5), 0.2M calcium acetate, 20% PEG 3350, VAPOR DIFFUSION, Sitting drop |