4PJS
Crystal structure of designed (SeMet)-cPPR-NRE protein
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-12-08 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97957 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 54.880, 75.530, 86.920 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.398 - 2.600 |
| R-factor | 0.1884 |
| Rwork | 0.183 |
| R-free | 0.23480 |
| Structure solution method | SAD |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.148 |
| Data scaling software | XDS |
| Phasing software | SHELXDE |
| Refinement software | PHENIX ((phenix.refine: 1.8.1_1168)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.670 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.093 | 0.897 |
| Number of reflections | 20876 | |
| <I/σ(I)> | 15.2 | 1.7 |
| Completeness [%] | 97.4 | 82.2 |
| Redundancy | 6.6 | 3.2 |
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, 4% MPD |
