1RHQ
CRYSTAL STRUCTURE OF THE COMPLEX OF CASPASE-3 WITH A BROMOMETHOXYPHENYL INHIBITOR
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 293 |
| Detector technology | AREA DETECTOR |
| Collection date | 1998-04-05 |
| Detector | SIEMENS |
| Wavelength(s) | 1.54178 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 110.300, 96.900, 70.900 |
| Unit cell angles | 90.00, 128.06, 90.00 |
Refinement procedure
| Resolution | 20.000 - 3.000 |
| Rwork | 0.273 |
| R-free | 0.35400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Protein part of 1pau.pdb |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.600 |
| 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 | 3.106 |
| High resolution limit [Å] | 2.999 | 2.999 |
| Rmerge | 0.061 | 0.163 |
| Number of reflections | 11487 | |
| <I/σ(I)> | 5.22 | 2.03 |
| Completeness [%] | 96.8 | 88.7 |
| Redundancy | 1.39 | 1.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.93 | 293 | 7.8% PEG-6000, 100 mM citrate, 120 mM ZnCl(2), 10 mM DTT, 3 mM NaN(3), pH 4.93, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
