7CSC
AtPrR1 with NADP+ and (-)pinoresinol
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2016-03-12 |
| Detector | MAR555 FLAT PANEL |
| Wavelength(s) | 0.9798 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 211.015, 128.712, 105.323 |
| Unit cell angles | 90.00, 91.95, 90.00 |
Refinement procedure
| Resolution | 10.097 - 2.515 |
| R-factor | 0.209483534947 |
| Rwork | 0.209 |
| R-free | 0.24696 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1qyd |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.694 |
| 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] | 10.098 | 2.600 |
| High resolution limit [Å] | 2.515 | 2.520 |
| Rmerge | 0.170 | 0.939 |
| Number of reflections | 92982 | 8665 |
| <I/σ(I)> | 11.7 | |
| Completeness [%] | 99.7 | |
| Redundancy | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 277 | 0.2 M sodium malonate, pH 6.0, 20% w/v PEG 3350 |
