5TQM
Cinnamoyl-CoA Reductase 1 from Sorghum bicolor in complex with NADP+
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.2.1 |
| Synchrotron site | ALS |
| Beamline | 8.2.1 |
| Temperature [K] | 80 |
| Detector technology | CCD |
| Collection date | 2015-05-23 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.00000 |
| Spacegroup name | P 32 |
| Unit cell lengths | 72.231, 72.231, 123.055 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 41.018 - 2.900 |
| R-factor | 0.228 |
| Rwork | 0.223 |
| R-free | 0.27330 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4r1s |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.708 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.750 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Number of reflections | 19803 | 953 |
| <I/σ(I)> | 24.234 | 1.511 |
| Completeness [%] | 99.8 | 97 |
| Redundancy | 5.2 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.1 M Bis-tris pH (6.5), 25% (w/v) PEG 3,350 |
