1SHL
CASPASE-7 IN COMPLEX WITH FICA ALLOSTERIC INHIBITOR
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-1 |
| Synchrotron site | SSRL |
| Beamline | BL9-1 |
| Temperature [K] | 93 |
| Detector technology | CCD |
| Collection date | 2003-01-07 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.8856 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 90.220, 90.220, 186.621 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 10.000 - 3.000 |
| R-factor | 0.2236 |
| Rwork | 0.221 |
| R-free | 0.27327 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1k88 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.297 |
| Data reduction software | MOSFLM |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.1.19) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 21.700 | 3.080 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Number of reflections | 18022 | |
| <I/σ(I)> | 7.89 | 1.4 |
| Completeness [%] | 99.3 | 99.9 |
| Redundancy | 5.7 | 5.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.8 | 277 | citrate, lithium sulfate, sodium chloride, pH 5.8, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
