3NS7
Succinic Acid Amides as P2-P3 Replacements for Inhibitors of Interleukin-1beta Converting Enzyme (ICE or Caspase 1)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 297 |
Detector technology | CCD |
Collection date | 1999-08-07 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 1.54 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 63.950, 63.950, 158.550 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 25.000 - 2.600 |
R-factor | 0.214 |
Rwork | 0.188 |
Structure solution method | FOURIER SYNTHESIS |
Data reduction software | XDS |
Phasing software | X-PLOR |
Refinement software | X-PLOR |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.000 | 2.800 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.569 | |
Number of reflections | 10574 | |
<I/σ(I)> | 11.78 | 2.4 |
Completeness [%] | 98.2 | 98.2 |
Redundancy | 3.93 | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 276 | pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 276K |