7DNS
Crystal structure of domain-swapped dimer of H5_Fold-0 Elsa; de novo designed protein with an asymmetric all-alpha topology
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-1A |
Synchrotron site | Photon Factory |
Beamline | BL-1A |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-12-03 |
Detector | DECTRIS EIGER X 4M |
Wavelength(s) | 1.1 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 45.980, 33.660, 58.380 |
Unit cell angles | 90.00, 93.11, 90.00 |
Refinement procedure
Resolution | 45.912 - 2.327 |
R-factor | 0.2086 |
Rwork | 0.207 |
R-free | 0.24690 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.003 |
RMSD bond angle | 0.517 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | MOLREP |
Refinement software | PHENIX (1.12) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 45.912 | 45.910 | 2.470 |
High resolution limit [Å] | 2.327 | 6.910 | 2.330 |
Rmerge | 0.090 | 0.052 | 0.483 |
Rmeas | 0.097 | 0.056 | 0.548 |
Number of reflections | 7770 | 329 | 1147 |
<I/σ(I)> | 13.63 | 34.53 | 2.54 |
Completeness [%] | 98.7 | 99.4 | 92.3 |
Redundancy | 6.41 | 6.52 | 4.48 |
CC(1/2) | 0.997 | 0.997 | 0.871 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 296 | 0.4 M MgCl2, 0.1 M Tris (pH 7.5), 30% PEG 3350 |