6B2R
Crystal structure of Xanthomonas campestris OleA H285A
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-BM |
Synchrotron site | APS |
Beamline | 19-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-02-22 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 1.02235 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 82.176, 85.609, 103.000 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.770 |
R-factor | 0.1766 |
Rwork | 0.175 |
R-free | 0.20910 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 3row |
RMSD bond length | 0.026 |
RMSD bond angle | 2.373 |
Data reduction software | HKL-2000 (v705) |
Data scaling software | HKL-2000 (v705) |
Phasing software | REFMAC (5.8.0158) |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.800 |
High resolution limit [Å] | 1.770 | 4.800 | 1.770 |
Rmerge | 0.094 | 0.038 | 0.877 |
Rmeas | 0.102 | 0.041 | 0.970 |
Rpim | 0.038 | 0.016 | 0.406 |
Number of reflections | 71384 | 3769 | 3483 |
<I/σ(I)> | 15.8 | ||
Completeness [%] | 99.7 | 97.9 | 98.1 |
Redundancy | 6.8 | 6.7 | 5.6 |
CC(1/2) | 0.998 | 0.690 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.2 | 292 | 18% PEG 8000, 110 mM potassium phosphate dibasic, 100 mM sodium citrate pH 4.2 |