8JQK
Crystal structure of a carbonyl reductase SSCR mutant from Sporobolomyces Salmonicolor
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 | 2022-12-29 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9791 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 46.740, 144.600, 48.190 |
| Unit cell angles | 90.00, 90.03, 90.00 |
Refinement procedure
| Resolution | 39.250 - 1.630 |
| R-factor | 0.2333 |
| Rwork | 0.231 |
| R-free | 0.26860 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.885 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.100 | 1.670 |
| High resolution limit [Å] | 1.630 | 1.630 |
| Rmerge | 0.166 | 1.122 |
| Rmeas | 0.179 | 1.200 |
| Rpim | 0.064 | 0.422 |
| Total number of observations | 585665 | 44294 |
| Number of reflections | 76825 | 5612 |
| <I/σ(I)> | 11.4 | 2 |
| Completeness [%] | 96.8 | |
| Redundancy | 7.6 | 7.9 |
| CC(1/2) | 0.996 | 0.557 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | 0.2 M Ammonium acetate, 0.1 M BIS-TRIS pH 6.5, 3350 |
