Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E+ SUPERBRIGHT |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-06-01 |
Detector | RIGAKU SATURN A200 |
Wavelength(s) | 1.54178 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 42.548, 46.293, 61.412 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 34.999 - 1.700 |
Rwork | 0.170 |
R-free | 0.21010 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | in house model |
RMSD bond length | 0.006 |
RMSD bond angle | 1.392 |
Data reduction software | d*TREK |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 36.970 | 1.760 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.043 | 0.119 |
Number of reflections | 51029 | 13015 |
<I/σ(I)> | 23.2 | 5.6 |
Completeness [%] | 93.9 | 61.9 |
Redundancy | 3.92 | 2.15 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 293 | 200mM CaCl2, 25% OEG4K, 100mM Tris HCl, pH 8.5 |