7LRV
Ni-bound crystal structure of the engineered cyt cb562 variant, DiCyt2, crystallized in the presence of Ni(II)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.2 |
Synchrotron site | ALS |
Beamline | 5.0.2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-10-19 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.977 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 54.910, 60.720, 63.770 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.610 - 1.400 |
R-factor | 0.1913 |
Rwork | 0.190 |
R-free | 0.21610 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2bc5 |
RMSD bond length | 0.006 |
RMSD bond angle | 0.781 |
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] | 41.610 | 1.450 |
High resolution limit [Å] | 1.400 | 1.400 |
Rmerge | 0.744 | 0.959 |
Rmeas | 0.756 | 0.973 |
Rpim | 0.133 | 0.163 |
Number of reflections | 42610 | 4185 |
<I/σ(I)> | 152.76 | 9.62 |
Completeness [%] | 99.8 | 99.12 |
Redundancy | 32.2 | 28.3 |
CC(1/2) | 0.738 | 0.804 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | PEG1500 25%, pH 8 EPPS 100 mM |