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 |