8CYO
Nurr1 Covalently Bound to a Synthetic Ligand, 10.25, via a Disulfide Bond
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.3.1 |
| Synchrotron site | ALS |
| Beamline | 8.3.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-05-07 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 1.1158 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 209.110, 70.660, 42.410 |
| Unit cell angles | 90.00, 95.65, 90.00 |
Refinement procedure
| Resolution | 49.500 - 2.410 |
| Rwork | 0.213 |
| R-free | 0.24900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ovl |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER (1.15.2) |
| Refinement software | PHENIX (1.15.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.500 | 2.490 |
| High resolution limit [Å] | 2.410 | 2.410 |
| Rmerge | 0.063 | 0.767 |
| Rmeas | 0.844 | |
| Rpim | 0.026 | 0.345 |
| Number of reflections | 23699 | 2050 |
| <I/σ(I)> | 17.1 | |
| Completeness [%] | 98.5 | 85.13 |
| Redundancy | 6.7 | 5.63 |
| CC(1/2) | 0.999 | 0.674 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293.15 | 0.1 M MES, 10-14% (w/v) PEG 20K |
