Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 298 |
Detector technology | AREA DETECTOR |
Collection date | 1994-11-01 |
Detector | SIEMENS-NICOLET X100 |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 3 |
Unit cell lengths | 150.700, 150.700, 150.700 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.500 |
R-factor | 0.158 |
Rwork | 0.158 |
R-free | 0.20700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1RUX |
RMSD bond length | 0.006 |
RMSD bond angle | 1.309 * |
Data scaling software | XDS |
Phasing software | CNS (0.9) |
Refinement software | CNS (0.9) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.700 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.081 | 0.234 |
Number of reflections | 36549 | |
<I/σ(I)> | 14.6 | 3 |
Completeness [%] | 92.0 * | 87.6 |
Redundancy | 3.3 | 1.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 3.2 | 298 | Rux, J.J., (2000) MOL.THER., 1, 18. * |