Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E SUPERBRIGHT |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2012-12-25 |
Detector | RIGAKU RAXIS HTC |
Wavelength(s) | 1.514 |
Spacegroup name | P 42 |
Unit cell lengths | 65.280, 65.280, 39.310 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 23.438 - 1.940 |
R-factor | 0.1665 |
Rwork | 0.165 |
R-free | 0.18850 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.074 |
Data reduction software | iMOSFLM |
Data scaling software | SCALA |
Refinement software | PHENIX ((dev_2405: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.700 | 2.040 |
High resolution limit [Å] | 1.940 | 1.940 |
Rmerge | 0.081 | 0.521 |
Number of reflections | 12748 | |
<I/σ(I)> | 23.44 | 6 |
Completeness [%] | 100.0 | 100 |
Redundancy | 20 | 19.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 298 | 0.02M calcium chloride, 30% v/v MPD and 0.1 M sodium acetate pH 4.6. |