5J54
The Structure and Mechanism of NOV1, a Resveratrol-Cleaving Dioxygenase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 4.2.2 |
| Synchrotron site | ALS |
| Beamline | 4.2.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-08-28 |
| Detector | NOIR-1 |
| Wavelength(s) | 1.000 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 93.569, 100.143, 145.600 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.840 - 1.890 |
| R-factor | 0.1496 |
| Rwork | 0.148 |
| R-free | 0.18020 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5j53 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 0.997 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Refinement software | PHENIX (dev_2276) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.940 |
| High resolution limit [Å] | 1.890 | 1.890 |
| Rmerge | 0.110 | 0.520 |
| Number of reflections | 54816 | |
| <I/σ(I)> | 10.4 | 1.34 |
| Completeness [%] | 95.0 | 71.1 |
| Redundancy | 5.6 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 298 | 0.16 M MgCl2, 0.08 M Tris pH 8.5, 18% (w/v) PEG 4000, and 20% glycerol |
