4KVL
Crystal structure of Oryza sativa fatty acid alpha-dioxygenase Y379F with palmitic acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CHESS BEAMLINE A1 |
Synchrotron site | CHESS |
Beamline | A1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-02-24 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.977 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 72.887, 130.202, 188.173 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 107.070 - 1.960 |
R-factor | 0.1582 |
Rwork | 0.157 |
R-free | 0.18582 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.012 |
RMSD bond angle | 1.223 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 107.070 | 1.990 |
High resolution limit [Å] | 1.960 | 1.960 |
Rmerge | 0.063 | 0.566 |
Number of reflections | 64653 | |
<I/σ(I)> | 25.2 | 2.8 |
Completeness [%] | 99.9 | 99.4 |
Redundancy | 5.8 | 4.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.1 | 300 | 45% PEG 400, 0.2M lithium chloride, 0.1M sodium citrate, pH 6.1, VAPOR DIFFUSION, SITTING DROP, temperature 300K |