Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 298 |
Detector technology | IMAGE PLATE |
Collection date | 1995-04-08 |
Detector | RIGAKU RAXIS IIC |
Wavelength(s) | 1.5418 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 93.250, 43.980, 83.500 |
Unit cell angles | 90.00, 122.03, 90.00 |
Refinement procedure
Resolution | 38.430 - 1.500 |
R-factor | 0.189 |
Rwork | 0.189 |
R-free | 0.20600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3sdh |
RMSD bond length | 0.006 |
RMSD bond angle | 1.100 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | X-PLOR |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 1.550 |
High resolution limit [Å] | 1.500 | 1.500 |
Rmerge | 0.055 | |
Number of reflections | 40594 | |
Completeness [%] | 87.8 | 54.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | SMALL TUBES | 7.5 | 298 | Phosphate, pH 7.5, SMALL TUBES, temperature 298K |