4H8N
Crystal structure of conjugated polyketone reductase C2 from candida parapsilosis complexed with NADPH
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NE3A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NE3A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-11-24 |
| Detector | ADSC QUANTUM 270 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 46.210, 127.450, 46.440 |
| Unit cell angles | 90.00, 108.99, 90.00 |
Refinement procedure
| Resolution | 19.510 - 1.800 |
| R-factor | 0.175 |
| Rwork | 0.172 |
| R-free | 0.22200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3AFY |
| RMSD bond length | 0.022 |
| RMSD bond angle | 1.946 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0066) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 20.000 |
| High resolution limit [Å] | 1.800 |
| Rmerge | 0.036 |
| Number of reflections | 46639 |
| <I/σ(I)> | 23.34 |
| Completeness [%] | 99.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.4 | 293 | 2MM NADPH, 0.1M TRIS-HCL, 25% PEG 3350, pH 7.4, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
