7CS6
IiPLR1 with NADP+ and (-)lariciresinol
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U1 |
| Synchrotron site | SSRF |
| Beamline | BL17U1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-12-18 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9798 |
| Spacegroup name | P 61 |
| Unit cell lengths | 244.441, 244.441, 75.641 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 42.338 - 2.201 |
| R-factor | 0.198087564542 |
| Rwork | 0.197 |
| R-free | 0.24003 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1qyd |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.362 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.10_2155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.340 | 2.280 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.137 | 0.858 |
| Number of reflections | 130416 | 12796 |
| <I/σ(I)> | 24.1 | |
| Completeness [%] | 100.0 | |
| Redundancy | 7.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4 | 293 | 0.2M sodium citrate tribasic, 0.1 M sodium citrate/citric acid, pH 4.0, 20% PEG 3350 |
