1RHM
CRYSTAL STRUCTURE OF THE COMPLEX OF CASPASE-3 WITH A NICOTINIC ACID ALDEHYDE INHIBITOR
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 293 |
| Detector technology | AREA DETECTOR |
| Collection date | 1996-08-26 |
| Detector | SIEMENS |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 125.065, 70.902, 86.567 |
| Unit cell angles | 90.00, 129.20, 90.00 |
Refinement procedure
| Resolution | 19.890 - 2.500 |
| Rwork | 0.192 |
| R-free | 0.24900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Protein part of 1pau.pdb |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.400 |
| 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] | 20.000 | 2.590 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.059 | 0.249 |
| Number of reflections | 18547 | |
| <I/σ(I)> | 14.4 | 3.24 |
| Completeness [%] | 33.3 | |
| Redundancy | 2.28 | 2.25 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.7 | 293 | 9% PEG-6000, 100 mM citrate, 10 mM DTT, 3 mM NaN(3), pH 5.7, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
