Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E+ SUPERBRIGHT |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-10-02 |
Detector | RIGAKU SATURN A200 |
Wavelength(s) | 1.541 |
Spacegroup name | P 1 |
Unit cell lengths | 24.524, 33.885, 39.614 |
Unit cell angles | 71.01, 74.35, 74.20 |
Refinement procedure
Resolution | 27.890 - 1.684 |
Rwork | 0.152 |
R-free | 0.18500 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.004 |
RMSD bond angle | 1.172 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Refinement software | REFMAC (5.8.0257) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 31.380 | 1.770 |
High resolution limit [Å] | 1.680 | 1.680 |
Rmerge | 0.020 | 0.035 |
Number of reflections | 11790 | 1585 |
<I/σ(I)> | 40.8 | 23.3 |
Completeness [%] | 91.4 | 83.4 |
Redundancy | 3.7 | 3.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.10M morpheus buffer 1 (1M pH 6.5), 30.00% morpheus EDO_P8K (60%) 0.10M Morpheus Amino Acids (1M) |