1SHJ
Caspase-7 in complex with DICA allosteric inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 93 |
| Detector technology | IMAGE PLATE |
| Collection date | 2003-07-18 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 91.097, 91.097, 184.465 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 2.800 |
| R-factor | 0.24635 |
| Rwork | 0.244 |
| R-free | 0.28651 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1k88 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.342 |
| Data reduction software | d*TREK |
| Data scaling software | d*TREK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.1.19) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.980 | 2.900 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Number of reflections | 22245 | |
| <I/σ(I)> | 9.1 | 2.8 |
| Completeness [%] | 99.0 | 98.6 |
| Redundancy | 2.31 | 2.32 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.8 | 277 | citrate, LiSO4, NaCl, pH 5.8, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
