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 |