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 |