3S20
Crystal structure of cerulenin bound Xanthomonas campestri OleA (soak)
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 | 81.653, 85.358, 103.020 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.487 - 1.880 |
| R-factor | 0.1706 |
| Rwork | 0.169 |
| R-free | 0.19990 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 3row |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.035 |
| 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 | 1.910 |
| High resolution limit [Å] | 1.880 | 1.880 |
| Rmerge | 0.058 | 0.395 |
| Number of reflections | 59154 | |
| <I/σ(I)> | 40.7 | 5 |
| Completeness [%] | 99.8 | 99.2 |
| Redundancy | 7.8 | 7.7 |
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 |
