Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 291 |
Detector technology | IMAGE PLATE |
Collection date | 2012-10-30 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 65 |
Unit cell lengths | 98.925, 98.925, 80.830 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 58.790 - 2.800 |
R-factor | 0.1732 |
Rwork | 0.170 |
R-free | 0.23320 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.014 |
RMSD bond angle | 1.783 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASES |
Refinement software | REFMAC (5.8.0107) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 58.790 | 2.874 |
High resolution limit [Å] | 2.800 | 2.801 |
Rmerge | 0.122 | 0.178 |
Number of reflections | 10591 | 787 |
<I/σ(I)> | 0 | |
Completeness [%] | 99.6 | |
Redundancy | 11.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 291 | 0.4M potassium sodium tartrate tetrahydrate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K |