5EKB
R2-like ligand-binding oxidase with aerobically reconstituted Mn/Fe cofactor (reconstituted in solution)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1) |
Synchrotron site | PETRA III, EMBL c/o DESY |
Beamline | P13 (MX1) |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-10-02 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.976 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 56.041, 97.217, 128.279 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.609 - 2.074 |
R-factor | 0.1927 |
Rwork | 0.190 |
R-free | 0.24420 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 4hr0 |
RMSD bond length | 0.017 |
RMSD bond angle | 1.174 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.200 |
High resolution limit [Å] | 2.070 | 2.070 |
Rmerge | 0.091 | 1.576 |
Number of reflections | 21369 | |
<I/σ(I)> | 11.8 | 0.95 |
Completeness [%] | 98.8 | 92.8 |
Redundancy | 6.4 | 5.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.8 | 295 | 20% (W/V) PEG 1500, 0.1 M HEPES-NA PH 6.8 |