8DRL
Zn(II)-bound B2 dimer (H60/H100/H104) formed in Cu(II)//Zn(II) (M1 // M2) condition
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 | 2020-10-17 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.27159 |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 39.640, 52.410, 58.630 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.640 - 1.650 |
R-factor | 0.1829 |
Rwork | 0.181 |
R-free | 0.20150 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2bc5 |
RMSD bond length | 0.007 |
RMSD bond angle | 0.845 |
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] | 39.640 | 1.709 |
High resolution limit [Å] | 1.650 | 1.650 |
Rmerge | 0.040 | 0.123 |
Rmeas | 0.057 | 0.174 |
Rpim | 0.040 | 0.123 |
Number of reflections | 15118 | 2910 |
<I/σ(I)> | 15.46 | 5.03 |
Completeness [%] | 99.0 | |
Redundancy | 2 | |
CC(1/2) | 0.998 | 0.961 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 9 | 298 | PEG3350 24%, CHES 100 mM |