5B6K
Crystal structure of Ketoreductase 1 from Candida glabrata
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NW12A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-02-26 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 65 |
| Unit cell lengths | 61.620, 61.620, 189.930 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 35.473 - 1.701 |
| R-factor | 0.169 |
| Rwork | 0.168 |
| R-free | 0.19050 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.839 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.800 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.052 | 0.431 |
| Number of reflections | 44487 | |
| <I/σ(I)> | 25.32 | 5.23 |
| Completeness [%] | 99.7 | 99.7 |
| Redundancy | 7.58 | 7.37 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 293 | 100mM sodium citrate buffer (pH 5.5), 1995mM (NH4)2SO4 |
