4PJR
Crystal structure of designed cPPR-NRE protein
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 | 2013-12-08 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 54.280, 74.930, 86.700 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.784 - 2.000 |
| R-factor | 0.1885 |
| Rwork | 0.185 |
| R-free | 0.22180 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4pjs |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.288 |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.8.1_1168)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.050 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.051 | 0.829 |
| Number of reflections | 46030 | |
| <I/σ(I)> | 16.8 | 2.2 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 3.4 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.3 | 291.15 | 0.1M BisTris pH 6.3, 0.2M calcium chloride, 15mM magnesium sulfate |
