4LOG
The crystal structure of the orphan nuclear receptor PNR ligand binding domain fused with MBP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-D |
| Synchrotron site | APS |
| Beamline | 21-ID-D |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-03-15 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 89.435, 184.936, 85.970 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.700 |
| R-factor | 0.28712 |
| Rwork | 0.285 |
| R-free | 0.30744 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | pdb id 3P0U (for PNR) pdb id 1OMP (for MBP) |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.145 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.800 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.085 | 0.066 |
| Number of reflections | 35685 | |
| <I/σ(I)> | 20.5 | 2 |
| Completeness [%] | 83.8 | 67.8 |
| Redundancy | 4.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 5.6 | 298 | PEG6000, pH 5.6, vapor diffusion, temperature 298K |
