5FFF
Noroxomaritidine/Norcraugsodine Reductase in complex with NADP+ and piperonal
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-07-09 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 73.386, 73.386, 167.892 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 35.847 - 1.501 |
| R-factor | 0.1508 |
| Rwork | 0.150 |
| R-free | 0.16570 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5feu |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.969 |
| Data reduction software | HKL-3000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.850 | 1.550 |
| High resolution limit [Å] | 1.501 | 1.500 |
| Rmerge | 0.071 | |
| Number of reflections | 84466 | |
| <I/σ(I)> | 17.6 | 2.3 |
| Completeness [%] | 99.9 | 98.7 |
| Redundancy | 10.2 | 1.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 277 | 35% MPD, 100 mM sodium acetate (pH 4.5) |
