7LSL
Cu-bound crystal structure of the engineered cyt cb562 variant, DiCyt2 - H63A, crystallized in the presence of Ni(II)
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 | 2021-01-30 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.886 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 54.630, 60.870, 64.110 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.140 - 1.640 |
R-factor | 0.2089 |
Rwork | 0.206 |
R-free | 0.24420 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2bc5 |
RMSD bond length | 0.007 |
RMSD bond angle | 0.928 |
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] | 44.140 | 1.699 |
High resolution limit [Å] | 1.640 | 1.640 |
Rmerge | 0.727 | 1.099 |
Rmeas | 0.737 | 1.113 |
Rpim | 0.117 | 0.172 |
Number of reflections | 26018 | 2468 |
<I/σ(I)> | 16.34 | 4.2 |
Completeness [%] | 95.4 | 93.45 |
Redundancy | 44.6 | 44.6 |
CC(1/2) | 0.890 | 0.744 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | PEG1500 25%, NH4Ac 200 mM, pH 7 MOPS 100 mM |