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 |