7SKP
De novo synthetic protein DIG14 (tetragonal space group)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALBA BEAMLINE XALOC |
Synchrotron site | ALBA |
Beamline | XALOC |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-03-11 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97918 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 73.910, 73.910, 97.480 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 58.900 - 2.500 |
R-factor | 0.249 |
Rwork | 0.247 |
R-free | 0.29980 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | De novo synthetic design |
RMSD bond length | 0.008 |
RMSD bond angle | 0.870 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | BUSTER (2.10.4) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 58.900 | 2.650 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.096 | 3.057 |
Rpim | 0.014 | 0.435 |
Number of reflections | 9805 | 1518 |
<I/σ(I)> | 30.2 | 3.2 |
Completeness [%] | 99.6 | |
Redundancy | 49.1 | |
CC(1/2) | 0.999 | 0.901 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | To be provided |