4IQG
Crystal structure of BPRO0239 oxidoreductase from Polaromonas sp. JS666 in NADP bound form
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-11-10 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97872 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 68.142, 97.710, 70.665 |
| Unit cell angles | 90.00, 97.32, 90.00 |
Refinement procedure
| Resolution | 40.110 - 1.850 |
| R-factor | 0.14971 |
| Rwork | 0.148 |
| R-free | 0.17304 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.880 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.880 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.082 | 0.683 |
| Number of reflections | 78447 | |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 3.8 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 289 | 0.15 M sodium formate, 20% PEG 3350, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 289K |
