1JV0
THE CRYSTAL STRUCTURE OF THE ZINC(II) ADDUCT OF THE CAI MICHIGAN 1 VARIANT
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | MACSCIENCE M12XHF |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2001-03-21 |
Detector | BRUKER SMART 1000 |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 62.681, 71.356, 120.909 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 15.000 - 2.000 |
Rwork | 0.197 |
R-free | 0.27700 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 1j9w |
RMSD bond length | 0.011 |
RMSD bond angle | 0.042 |
Data reduction software | SAINT |
Data scaling software | SAINT |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 15.000 | 2.071 |
High resolution limit [Å] | 2.000 | 2.000 |
Number of reflections | 35578 | |
<I/σ(I)> | 8 | 2.18 |
Completeness [%] | 94.9 | 81.9 |
Redundancy | 2.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 9 | 295 | PEG 4000, LITIUM CHLORIDE, ETHYLENE GLICOL , pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K |