5MED
Cyanothece lipoxygenase 2 (CspLOX2)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.1 |
Synchrotron site | BESSY |
Beamline | 14.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-11-22 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.9184 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 54.500, 165.400, 166.210 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.553 - 1.800 |
R-factor | 0.1749 |
Rwork | 0.173 |
R-free | 0.20290 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3o8y |
RMSD bond length | 0.008 |
RMSD bond angle | 1.044 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER (2.6) |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 45.000 | 1.900 | |
High resolution limit [Å] | 1.800 | 50.000 | 1.800 |
Rmerge | 0.071 | 0.542 | |
Number of reflections | 134076 | ||
<I/σ(I)> | 10.1 | 2.06 | |
Completeness [%] | 95.7 | 76.7 | |
Redundancy | 3.2 | ||
CC(1/2) | 0.996 | 0.712 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 277 | 10% PEG 4000, 20% glycerol, 0.1 M MES/imidazole, 0.02 M of each alcohol (1,6-hexanediol, 1-butanol, 1,2-propanediol, 2-propanol, 1,4-butanediol, 1,3-propanediol) |