2CJX
Extended substrate recognition in caspase-3 revealed by high resolution X-ray structure analysis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | ENRAF-NONIUS FR591 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-08-08 |
Detector | MARRESEARCH |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 68.481, 83.631, 95.848 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.630 - 1.700 |
R-factor | 0.181 |
Rwork | 0.181 |
R-free | 0.20800 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.005 |
RMSD bond angle | 1.300 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 1.790 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.060 | 0.360 |
Number of reflections | 30451 | |
<I/σ(I)> | 16.4 | 3.6 |
Completeness [%] | 99.5 | 100 |
Redundancy | 4 | 3.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 4.75 | PEG6000, 100 MM SODIUM CITRATE PH 4.75 |