6IXM
Crystal structure of the ketone reductase ChKRED20 from the genome of Chryseobacterium sp. CA49 complexed with NAD
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL18U1 |
| Synchrotron site | SSRF |
| Beamline | BL18U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-07-01 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.9754 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 63.891, 113.980, 131.819 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.288 - 1.601 |
| R-factor | 0.1651 |
| Rwork | 0.164 |
| R-free | 0.19170 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ni5 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.823 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.14_3260: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.300 | 1.630 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Number of reflections | 126974 | 6312 |
| <I/σ(I)> | 21.7 | 4.4 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 6.7 | 6.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 0.1M NaCl, 0.1M HEPES, 1.6M (NH4)SO4, pH 7.5 |
