3WXY
Crystal structure of CsyB complexed with CoA-SH
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-17A |
| Synchrotron site | Photon Factory |
| Beamline | BL-17A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-04-22 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 0.9800 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 69.970, 104.790, 73.520 |
| Unit cell angles | 90.00, 114.38, 90.00 |
Refinement procedure
| Resolution | 39.527 - 1.706 |
| R-factor | 0.1753 |
| Rwork | 0.174 |
| R-free | 0.19930 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3e1h |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.150 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.810 |
| High resolution limit [Å] | 1.706 | 1.710 |
| Rmerge | 0.052 | 0.263 |
| Number of reflections | 101115 | |
| Completeness [%] | 96.3 | 95.3 |
| Redundancy | 3.84 | 3.86 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 100mM PIPES-NaOH, 4%PEG4000, 200mM LiCl, 2mM CoA-SH, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
