1RHK
Crystal structure of the complex of caspase-3 with a phenyl-propyl-ketone inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 293 |
| Detector technology | AREA DETECTOR |
| Collection date | 1996-04-29 |
| Detector | SIEMENS |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 69.940, 84.660, 96.820 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.980 - 2.500 |
| Rwork | 0.190 |
| R-free | 0.24100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Protein part of 1pau.pdb |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.300 |
| Data reduction software | X-GEN |
| Data scaling software | SAINT (V. 4.050) |
| Phasing software | X-PLOR |
| Refinement software | CNX (2002) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.000 | 2.589 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.080 | 0.362 |
| Number of reflections | 8371 | |
| <I/σ(I)> | 10.93 | 2.3 |
| Completeness [%] | 81.6 | 33.3 |
| Redundancy | 2.1 | 1.38 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.3 | 293 | 12% PEG-5000, 100 mM Citrate, 10 mM DTT, 3 mM NaN(3), pH 5.3, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
