4KU5
Crystal Structures of C143S Xanthomonas campestris OleA with Bound Lauric Acid and Lauroyl-CoA
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-D |
Synchrotron site | APS |
Beamline | 23-ID-D |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2012-11-04 |
Detector | MAR scanner 300 mm plate |
Wavelength(s) | 1.03 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 82.204, 85.379, 102.706 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.006 - 2.170 |
R-factor | 0.1612 |
Rwork | 0.159 |
R-free | 0.20310 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 3row |
RMSD bond length | 0.006 |
RMSD bond angle | 1.187 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX ((phenix.refine: 1.8.1_1168)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.220 |
High resolution limit [Å] | 2.170 | 2.170 |
Rmerge | 0.011 | 0.575 |
Number of reflections | 263108 | |
<I/σ(I)> | 18.2 | 3.5 |
Completeness [%] | 100.0 | 100 |
Redundancy | 6.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.2 | 298 | 18% PEG 8000, 80 mM potassium phosphate dibasic, 100 mM sodium citrate , pH 4.2, VAPOR DIFFUSION, HANGING DROP, temperature 298K |