8HFW
The crystal structure of alpha/beta fold hydrolase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL02U1 |
| Synchrotron site | SSRF |
| Beamline | BL02U1 |
| Temperature [K] | 298 |
| Detector technology | PIXEL |
| Collection date | 2021-10-18 |
| Detector | DECTRIS EIGER2 S 9M |
| Wavelength(s) | 0.979 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 166.960, 68.410, 75.340 |
| Unit cell angles | 90.00, 93.58, 90.00 |
Refinement procedure
| Resolution | 57.638 - 1.660 |
| Rwork | 0.194 |
| R-free | 0.22870 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5y57 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.478 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | BALBES |
| Refinement software | REFMAC (5.8.0352) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 57.640 | 1.700 |
| High resolution limit [Å] | 1.660 | 1.660 |
| Rmerge | 0.048 | 0.466 |
| Rmeas | 0.523 | |
| Number of reflections | 98523 | 98523 |
| <I/σ(I)> | 19.8 | |
| Completeness [%] | 98.4 | |
| Redundancy | 6.37 | |
| CC(1/2) | 0.999 | 0.999 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.2 | 289 | 0.1 M Bis-Tris, pH7.2, 0.2 M Magnesium acetate, 17% PEG3350 |
