5X8H
Crystal structure of the ketone reductase ChKRED20 from the genome of Chryseobacterium sp. CA49
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 | 2016-12-12 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9754 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 86.826, 102.867, 109.380 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.700 - 1.850 |
| R-factor | 0.1963 |
| Rwork | 0.195 |
| R-free | 0.22993 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ni5 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.573 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.700 | 1.880 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.100 | 0.635 |
| Number of reflections | 83764 | 4082 |
| <I/σ(I)> | 19.1 | 3.5 |
| Completeness [%] | 99.3 | 98.6 |
| Redundancy | 6.7 |
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)2SO4, PH 7.5 |
