3S1Z
Crystal structure of acetamide bound Xanthomonas campestri OleA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-B |
| Synchrotron site | APS |
| Beamline | 23-ID-B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-02-19 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.03 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 81.628, 85.044, 103.050 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.432 - 2.055 |
| R-factor | 0.1591 |
| Rwork | 0.157 |
| R-free | 0.19190 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 3row |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.010 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((phenix.refine: 1.7_650)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.090 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmerge | 0.079 | 0.489 |
| Number of reflections | 45354 | |
| <I/σ(I)> | 33.6 | 7.6 |
| Completeness [%] | 100.0 | 99.9 |
| Redundancy | 8.1 | 7.6 |
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 298.0K |
