7WNH
Crystal structure of Nurr1 binding to NBRE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-07-17 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97775 |
| Spacegroup name | P 32 |
| Unit cell lengths | 124.002, 124.002, 119.518 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 107.390 - 3.100 |
| R-factor | 0.2254 |
| Rwork | 0.223 |
| R-free | 0.26710 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1cit 1ovl |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.449 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 119.520 | 119.520 | 3.240 |
| High resolution limit [Å] | 3.100 | 10.740 | 3.100 |
| Rmerge | 0.162 | 0.070 | 1.102 |
| Rmeas | 0.172 | 0.075 | 1.168 |
| Rpim | 0.056 | 0.025 | 0.379 |
| Total number of observations | 356012 | 6971 | 44226 |
| Number of reflections | 37212 | 884 | 4572 |
| <I/σ(I)> | 7.9 | 16.3 | 1.8 |
| Completeness [%] | 99.7 | 98.4 | 99.9 |
| Redundancy | 9.6 | 7.9 | 9.7 |
| CC(1/2) | 0.997 | 0.998 | 0.642 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 5 | 277 | 0.1M sodium malonate, pH5.0, 20% PEG3350,1.44% myo-lnositol |
