6ISV
Structure of acetophenone reductase from Geotrichum candidum NBRC 4597 in complex with NAD
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-1A |
Synchrotron site | Photon Factory |
Beamline | BL-1A |
Temperature [K] | 95 |
Detector technology | PIXEL |
Collection date | 2018-06-24 |
Detector | DECTRIS EIGER X 4M |
Wavelength(s) | 1.1 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 104.751, 104.751, 273.064 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 48.901 - 2.500 |
R-factor | 0.221 |
Rwork | 0.218 |
R-free | 0.27180 |
Structure solution method | SAD |
RMSD bond length | 0.007 |
RMSD bond angle | 1.027 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | CRANK2 |
Refinement software | PHENIX ((1.14_3260: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.901 | 2.600 |
High resolution limit [Å] | 2.500 | 2.500 |
Rpim | 0.029 | 0.562 |
Number of reflections | 31670 | 3471 |
<I/σ(I)> | 23.9 | 1.8 |
Completeness [%] | 100.0 | |
Redundancy | 39.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.7 | 293 | 20% PEG3350 0.1 M Sodium Citrate dihydrate |