8DRD
Ni(II)-bound B2 dimer (H60/H100/H104)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.3.1 |
Synchrotron site | ALS |
Beamline | 8.3.1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-05-18 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97741 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 42.090, 55.430, 101.970 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.700 - 1.890 |
R-factor | 0.1919 |
Rwork | 0.189 |
R-free | 0.21550 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2bc5 |
RMSD bond length | 0.007 |
RMSD bond angle | 0.841 |
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] | 48.700 | 1.958 |
High resolution limit [Å] | 1.890 | 1.890 |
Rmerge | 0.026 | 0.111 |
Rmeas | 0.036 | 0.157 |
Rpim | 0.026 | 0.111 |
Number of reflections | 19771 | 1917 |
<I/σ(I)> | 17.69 | 5.78 |
Completeness [%] | 100.0 | 100 |
Redundancy | 2 | 2 |
CC(1/2) | 0.999 | 0.956 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 298 | MPD 45%, NaCl 200 mM, TRIS-HCl 100 mM |