Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 298 |
Detector technology | AREA DETECTOR |
Collection date | 1992-02-29 |
Detector | SIEMENS HI-STAR |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 46.500, 83.470, 95.460 |
Unit cell angles | 90.00, 90.01, 90.00 |
Refinement procedure
Resolution | 10.000 - 1.880 |
Rwork | 0.175 |
R-free | 0.21400 |
Structure solution method | MIR |
Starting model (for MR) | 2BLT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.440 |
Data reduction software | X-GEN |
Data scaling software | X-GEN |
Phasing software | PHASES |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 100.000 | 1.970 |
High resolution limit [Å] | 1.860 | 1.860 |
Rmerge | 0.039 | 0.274 |
Number of reflections | 51415 | |
<I/σ(I)> | 40.5 | 2.7 |
Completeness [%] | 0.9 | 0.537 |
Redundancy | 2.5 | 1.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 298 | PEG 8000, SODIUM CACODYLATE, MgCl2, NaN3, pH 6.5 - 8.5, VAPOR DIFFUSION, temperature 298K |