7CS4
IiPLR1 with NADP+ and (+)pinoresinol
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 | 244.924, 244.924, 75.772 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 48.661 - 2.305 |
| R-factor | 0.202729464793 |
| Rwork | 0.202 |
| R-free | 0.23139 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1qyd |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.258 |
| 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] | 48.670 | 2.390 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.161 | 1.516 |
| Number of reflections | 111977 | 10853 |
| <I/σ(I)> | 20.1 | |
| Completeness [%] | 97.8 | |
| Redundancy | 8.7 |
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 |
