Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | BRUKER AXS MICROSTAR |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | BRUKER SMART 6000 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 67.110, 67.110, 141.320 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 33.560 - 2.090 |
Rwork | 0.234 |
R-free | 0.27200 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.300 |
Data reduction software | SAINT |
Data scaling software | LSCALE |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 33.784 | 2.090 |
High resolution limit [Å] | 2.000 | 2.000 |
Number of reflections | 22917 | |
<I/σ(I)> | 6.72 | 1.36 |
Completeness [%] | 100.0 | 100 |
Redundancy | 17.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.2 | 295 | Ammonium sulfate, sodium acetate, pH 4.2, VAPOR DIFFUSION, HANGING DROP, temperature 295K |