8VGC
Complex of ExbD with D-box peptide: Orthorhombic form
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS-II BEAMLINE 17-ID-1 |
Synchrotron site | NSLS-II |
Beamline | 17-ID-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-10-14 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.92011 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 49.260, 60.640, 73.910 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 24.630 - 1.420 |
R-factor | 0.2047 |
Rwork | 0.204 |
R-free | 0.22060 |
Structure solution method | SIRAS |
RMSD bond length | 0.013 |
RMSD bond angle | 1.350 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | AutoSol |
Refinement software | PHENIX ((1.17.1_3660: ???)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 24.630 | 24.630 | 1.460 |
High resolution limit [Å] | 1.420 | 6.350 | 1.420 |
Rmerge | 0.069 | 0.074 | 3.246 |
Rmeas | 0.072 | 0.078 | 3.367 |
Rpim | 0.020 | ||
Number of reflections | 42453 | 540 | 3087 |
<I/σ(I)> | 17.39 | ||
Completeness [%] | 99.9 | ||
Redundancy | 14 | ||
CC(1/2) | 0.998 | 0.995 | 0.392 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 4.6 | 277 | 2M ammonium sulfate in 0.1 M sodium acetate pH 4.6. Microbatch under Al's oil |