5GXD
Structure of acryloyl-CoA lyase PrpE from Dinoroseobacter shibae DFL 12
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-10-12 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9791 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 147.097, 58.425, 113.259 |
| Unit cell angles | 90.00, 128.45, 90.00 |
Refinement procedure
| Resolution | 31.316 - 2.001 |
| R-factor | 0.167 |
| Rwork | 0.166 |
| R-free | 0.19360 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2p2b |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.935 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.073 |
| High resolution limit [Å] | 2.001 | 2.001 |
| Rmerge | 0.071 | 0.287 |
| Number of reflections | 50809 | 4985 |
| <I/σ(I)> | 28.07 | |
| Completeness [%] | 99.6 | 99 |
| Redundancy | 3.7 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 1.8M Ammonium sulfate, 0.1M BIS-TRIS pH 6.5, 2% polyethylene glycol(PEG) monomethyl ether 550 |
