7N4F
Ni-bound crystal structure of the engineered cyt cb562 variant, AB2-H100A, 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 | 2021-05-18 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.59 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 34.470, 84.650, 39.140 |
Unit cell angles | 90.00, 100.51, 90.00 |
Refinement procedure
Resolution | 35.030 - 1.800 |
R-factor | 0.2124 |
Rwork | 0.208 |
R-free | 0.25370 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2bc5 |
RMSD bond length | 0.008 |
RMSD bond angle | 0.927 |
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] | 35.030 | 1.864 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.585 | 0.561 |
Rmeas | 0.613 | 0.589 |
Rpim | 0.181 | 0.177 |
Number of reflections | 20432 | 1985 |
<I/σ(I)> | 271.29 | 19.4 |
Completeness [%] | 96.3 | 96.6 |
Redundancy | 11.9 | |
CC(1/2) | 0.749 | 0.817 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | PEG1500 25%, MgCl2 200 mM, pH 7 MOPS 100 mM |