5YD6
Crystal structure of PG-bound Nurr1-LBD
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL13B1 |
| Synchrotron site | NSRRC |
| Beamline | BL13B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-04-14 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.00000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 85.950, 94.080, 135.650 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.340 |
| R-factor | 0.22722 |
| Rwork | 0.225 |
| R-free | 0.26863 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ovl |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.525 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 94.080 | 2.470 |
| High resolution limit [Å] | 2.340 | 2.340 |
| Rmerge | 0.072 | 0.746 |
| Number of reflections | 46996 | 6778 |
| <I/σ(I)> | 12.8 | 2.5 |
| Completeness [%] | 99.7 | 99.9 |
| Redundancy | 5.7 | 5.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 291 | PEG 3350, MES PH 5.5 AND MGCL2 |
