5K53
Crystal structures of aldehyde deformylating oxygenase from Oscillatoria sp. KNUA011
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 7A (6B, 6C1) |
Synchrotron site | PAL/PLS |
Beamline | 7A (6B, 6C1) |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-10-14 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.97953 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 55.012, 78.265, 108.861 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.010 - 1.800 |
R-factor | 0.1949 |
Rwork | 0.193 |
R-free | 0.23410 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4quw |
RMSD bond length | 0.019 |
RMSD bond angle | 1.840 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.010 | 50.000 | 1.830 |
High resolution limit [Å] | 1.800 | 4.880 | 1.800 |
Rmerge | 0.077 | 0.060 | |
Number of reflections | 43714 | ||
<I/σ(I)> | 12 | ||
Completeness [%] | 97.4 | 80.6 | 97.7 |
Redundancy | 7.7 | 5.6 | 8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 296 | Tris, Ammonium sulfate |