5XZD
Structure of acryloyl-CoA hydratase AcuH from Roseovarius nubinhibens ISM
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL18U1 |
| Synchrotron site | SSRF |
| Beamline | BL18U1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-12-10 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9791 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 127.810, 119.453, 120.276 |
| Unit cell angles | 90.00, 102.77, 90.00 |
Refinement procedure
| Resolution | 48.381 - 1.900 |
| R-factor | 0.1741 |
| Rwork | 0.173 |
| R-free | 0.19850 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3h81 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.772 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.968 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.078 | |
| Number of reflections | 137287 | 13424 |
| <I/σ(I)> | 41.37 | |
| Completeness [%] | 99.3 | 97.97 |
| Redundancy | 3.6 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1 M sodium acetate (pH 5.2), 15% (v/v) 2-methyl-1,3-propanediol and 2.2% (w/v) PEG 4000 |
