7LSN
Ni-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) | 1.033 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 55.640, 60.660, 64.290 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.330 - 1.520 |
R-factor | 0.2085 |
Rwork | 0.207 |
R-free | 0.23570 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2bc5 |
RMSD bond length | 0.007 |
RMSD bond angle | 0.809 |
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] | 30.330 | 1.574 |
High resolution limit [Å] | 1.520 | 1.520 |
Rmerge | 0.678 | 1.112 |
Rmeas | 0.692 | 1.133 |
Rpim | 0.131 | 0.214 |
Number of reflections | 34089 | 3348 |
<I/σ(I)> | 53.12 | 4.3 |
Completeness [%] | 99.6 | 99.7 |
Redundancy | 27.7 | 28 |
CC(1/2) | 0.810 | 0.814 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | PEG1500 25%, (NH4)2SO4 120 mM, pH 8 EPPS 100 mM |