5MEG
Manganese-substituted Cyanothece lipoxygenase 2 (Mn-CspLOX2)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2) |
Synchrotron site | PETRA III, EMBL c/o DESY |
Beamline | P14 (MX2) |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-05-19 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.82656 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 54.420, 165.590, 167.350 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.263 - 2.000 |
R-factor | 0.1829 |
Rwork | 0.182 |
R-free | 0.20510 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 5med |
RMSD bond length | 0.003 |
RMSD bond angle | 0.590 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHENIX |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 46.263 | 2.100 | |
High resolution limit [Å] | 2.000 | 50.000 | 2.000 |
Rmerge | 0.070 | 0.791 | |
Number of reflections | 102444 | ||
<I/σ(I)> | 14.96 | 1.74 | |
Completeness [%] | 99.3 | 99.2 | |
Redundancy | 4.4 | ||
CC(1/2) | 0.999 | 0.721 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.1 | 293 | 12.5% PEG 4000, 8% glycerol, 600 mM NaCl, 0.1 M MES/imidazole pH 6.1 |