5Y41
Crystal Structure of LIGAND-BOUND NURR1-LBD
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-09-04 |
Detector | DECTRIS PILATUS 2M-F |
Wavelength(s) | 1.00003 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 88.520, 131.460, 47.130 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.050 |
R-factor | 0.20719 |
Rwork | 0.206 |
R-free | 0.25288 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ovl |
RMSD bond length | 0.014 |
RMSD bond angle | 1.786 |
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] | 75.000 | 2.160 |
High resolution limit [Å] | 2.050 | 2.050 |
Rmerge | 0.071 | 0.616 |
Number of reflections | 35308 | 5050 |
<I/σ(I)> | 5.5 | 2.3 |
Completeness [%] | 99.8 | 99.9 |
Redundancy | 4.8 | 4.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 291 | PEG 3350, MES pH 5.5 and MgCl2 |