8Y7R
Crystal structure of a novel ketoreductase from Sphingobacterium siyangense SY1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17UM |
| Synchrotron site | SSRF |
| Beamline | BL17UM |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-10-22 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 84.580, 84.580, 280.980 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 57.770 - 1.620 |
| R-factor | 0.16765 |
| Rwork | 0.167 |
| R-free | 0.18943 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.806 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 57.770 | 1.660 |
| High resolution limit [Å] | 1.620 | 1.620 |
| Number of reflections | 76711 | 5572 |
| <I/σ(I)> | 32.5 | |
| Completeness [%] | 100.0 | |
| Redundancy | 42.1 | 43.4 |
| CC(1/2) | 1.000 | 0.791 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 25%PEG 550, 0.02M MgCl2, 0.1M Bis-Tris pH7.0 |
