Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 289 |
Detector technology | IMAGE PLATE |
Collection date | 1998-07-09 |
Detector | RIGAKU RAXIS IIC |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 51.400, 59.000, 62.000 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 8.000 - 1.850 |
R-factor | 0.1821 |
Rwork | 0.178 |
R-free | 0.23070 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 1B6N |
RMSD bond length | 0.009 |
RMSD bond angle | 1.607 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | X-PLOR |
Refinement software | X-PLOR (3.851) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.860 |
High resolution limit [Å] | 1.800 | 1.800 |
Number of reflections | 15458 | |
<I/σ(I)> | 10.4 | 2.2 |
Completeness [%] | 84.6 | 66.2 |
Redundancy | 2.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293 | 30-60% ammonium sulfate, 0.1M acetate buffer, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |