1ZZE
X-ray Structure of NADPH-dependent Carbonyl Reductase from Sporobolomyces salmonicolor
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 | 2004-01-28 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 54.919, 83.444, 148.262 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.880 - 1.800 |
R-factor | 0.193 |
Rwork | 0.193 |
R-free | 0.23300 |
Structure solution method | MIR |
RMSD bond length | 0.005 |
RMSD bond angle | 1.200 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.900 | 1.860 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.078 | |
Number of reflections | 61668 | |
Completeness [%] | 96.2 | 99.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 298 | 32% PEG2000 MME, 100mM ammonium sulfate, 200mM sodium acetate, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |