5FF9
Noroxomaritidine/Norcraugsodine Reductase in Complex with NADP+ and tyramine
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 | 2015-04-05 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 61.800, 86.964, 186.115 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.394 - 1.814 |
| R-factor | 0.1859 |
| Rwork | 0.184 |
| R-free | 0.21390 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ae2 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.009 |
| 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] | 39.400 | 1.880 |
| High resolution limit [Å] | 1.810 | 1.810 |
| Rmerge | 0.574 | |
| Number of reflections | 90846 | |
| <I/σ(I)> | 23.7 | 2.3 |
| Completeness [%] | 99.2 | 91.6 |
| Redundancy | 10.4 | 11 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 10.5 | 277 | 2 M ammonium sulfate, 100 mM CAPS buffer (pH 10.5), 200 mM lithium sulfate |
