8Y83
Crystal structure of a ketoreductase from Sphingobacterium siyangense SY1 with co-enzyme
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL10U2 |
| Synchrotron site | SSRF |
| Beamline | BL10U2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-10-16 |
| Detector | DECTRIS PILATUS3 2M |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 84.434, 84.434, 280.321 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 44.530 - 2.000 |
| R-factor | 0.16801 |
| Rwork | 0.166 |
| R-free | 0.20057 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.648 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.120 |
| High resolution limit [Å] | 2.000 | 5.950 | 2.000 |
| Number of reflections | 38601 | 1798 | 5227 |
| <I/σ(I)> | 28.63 | ||
| Completeness [%] | 93.8 | ||
| Redundancy | 62.4 | ||
| CC(1/2) | 1.000 | 1.000 | 0.845 |
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 |
