7ZXZ
dithiol-ligand bound to streptavidin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-05-02 |
Detector | DECTRIS PILATUS 2M-F |
Wavelength(s) | 0.999997 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 81.324, 80.790, 46.657 |
Unit cell angles | 90.00, 104.32, 90.00 |
Refinement procedure
Resolution | 45.249 - 1.450 |
Rwork | 0.180 |
R-free | 0.20400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2bc3 |
RMSD bond length | 0.012 |
RMSD bond angle | 1.812 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0349) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 45.249 | 45.210 | 1.470 |
High resolution limit [Å] | 1.450 | 7.940 | 1.450 |
Rmerge | 0.079 | 0.050 | 0.886 |
Rmeas | 0.094 | 0.059 | 1.046 |
Rpim | 0.050 | 0.031 | 0.553 |
Number of reflections | 50291 | 331 | 2449 |
<I/σ(I)> | 11.7 | ||
Completeness [%] | 97.4 | ||
Redundancy | 6.7 | 6.6 | 6.7 |
CC(1/2) | 0.998 | 0.995 | 0.780 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | 0.1 M MIB, 25 % w/v PEG 1500 |