3WG6
Crystal structure of conjugated polyketone reductase C1 from Candida parapsilosis complexed with NADPH
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 | 2009-10-14 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.00000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 59.070, 84.930, 136.160 |
| Unit cell angles | 90.00, 96.17, 90.00 |
Refinement procedure
| Resolution | 19.780 - 2.200 |
| R-factor | 0.185 |
| Rwork | 0.182 |
| R-free | 0.24200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.022 |
| RMSD bond angle | 1.923 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 20.000 |
| High resolution limit [Å] | 2.200 |
| Number of reflections | 67499 |
| Completeness [%] | 99.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 5MM NADPH, 0.1M TRIS-HCL, 25% PEG 3350, 5MM NACL, PH 8.5, TEMPERATURE 293K, VAPOR DIFFUSION, SITTING DROP |
