3WY0
The I375W mutant of CsyB complexed with CoA-SH
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NW12A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-06-03 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 70.130, 104.560, 73.660 |
| Unit cell angles | 90.00, 114.33, 90.00 |
Refinement procedure
| Resolution | 41.244 - 2.001 |
| R-factor | 0.1726 |
| Rwork | 0.171 |
| R-free | 0.20420 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3wxy |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.068 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.120 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.077 | 0.355 |
| Number of reflections | 65058 | |
| Completeness [%] | 99.6 | 99.1 |
| Redundancy | 3.81 | 3.73 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 100mM PIPES-NaOH, 6% PEG 4000, 250mM LiCl, 2mM CoA-SH, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
