7UPP
Crystal structure of designed heterotrimeric assembly DHT03_2arm_A21/B21/C long
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-B |
Synchrotron site | APS |
Beamline | 23-ID-B |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-12-03 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.033167 |
Spacegroup name | P 1 |
Unit cell lengths | 59.470, 68.050, 98.990 |
Unit cell angles | 106.46, 108.52, 93.09 |
Refinement procedure
Resolution | 45.870 - 3.350 |
R-factor | 0.2962 |
Rwork | 0.295 |
R-free | 0.32690 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | de novo designed DHT03_2arm_A21/B21/C long |
RMSD bond length | 0.002 |
RMSD bond angle | 0.347 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.870 | 3.470 |
High resolution limit [Å] | 3.350 | 3.350 |
Rmerge | 0.065 | 1.084 |
Rmeas | 0.093 | 1.532 |
Rpim | 0.065 | 1.083 |
Number of reflections | 18621 | 1887 |
<I/σ(I)> | 6.5 | 0.78 |
Completeness [%] | 76.7 | |
Redundancy | 1.9 | |
CC(1/2) | 0.998 | 0.554 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 291.15 | 2M (NH4)2SO4, 0.1M sodium acetate pH4.6 |