3S21
Crystal structure of cerulenin bound Xanthomonas campestri OleA (co-crystal)
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 | IMAGE PLATE |
| Collection date | 2010-11-05 |
| Detector | MAR scanner 300 mm plate |
| Wavelength(s) | 1.03 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 90.516, 90.516, 69.793 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 27.635 - 1.700 |
| R-factor | 0.1795 |
| Rwork | 0.178 |
| R-free | 0.20920 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3row |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.013 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.7_650)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.730 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.044 | 0.445 |
| Number of reflections | 36296 | |
| <I/σ(I)> | 44.5 | 5 |
| Completeness [%] | 99.0 | 100 |
| Redundancy | 7.4 | 7.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 298 | 16% PEG 4000, 80 mM manganese chloride, 100 mM MES pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
