7LRB
Ni-bound crystal structure of the engineered cyt cb562 variant, DiCyt2, crystallized in the presence of Ni(II) (M1) and Cu(II) (M2)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-07-04 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.59 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 54.630, 61.050, 64.300 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.630 - 1.780 |
R-factor | 0.1807 |
Rwork | 0.177 |
R-free | 0.21120 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2bc5 |
RMSD bond length | 0.006 |
RMSD bond angle | 0.864 |
Data reduction software | iMOSFLM |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.15.2_3472) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 41.630 | 1.844 |
High resolution limit [Å] | 1.780 | 1.780 |
Rmerge | 0.736 | 0.777 |
Rmeas | 0.751 | 0.796 |
Rpim | 0.145 | 0.169 |
Number of reflections | 20861 | 1911 |
<I/σ(I)> | 31.17 | 6.16 |
Completeness [%] | 97.7 | 91.7 |
Redundancy | 26 | 21.6 |
CC(1/2) | 0.676 | 0.788 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | PEG1500 25%, Ammonium acetate 160 mM, pH 8.4 EPPS 100 mM |