Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL10U2 |
Synchrotron site | SSRF |
Beamline | BL10U2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-07-21 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.987 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 68.512, 82.323, 101.167 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 52.660 - 1.930 |
R-factor | 0.1818 |
Rwork | 0.180 |
R-free | 0.20900 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.011 |
RMSD bond angle | 1.067 |
Refinement software | PHENIX ((1.19.2_4158: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 52.660 | 2.003 |
High resolution limit [Å] | 1.930 | 1.934 |
Number of reflections | 41305 | 4265 |
<I/σ(I)> | 9.7 | |
Completeness [%] | 94.9 | |
Redundancy | 2 | |
CC(1/2) | 0.995 | 0.708 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 298.15 | 39.3% ethylene glycol 0.1M MES, pH5.6 200mM Zn(OAc)2 |