1F1J
CRYSTAL STRUCTURE OF CASPASE-7 IN COMPLEX WITH ACETYL-ASP-GLU-VAL-ASP-CHO
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X25 |
| Synchrotron site | NSLS |
| Beamline | X25 |
| Temperature [K] | 128 |
| Detector technology | CCD |
| Collection date | 1998-09-20 |
| Detector | BRANDEIS - B4 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 88.180, 88.180, 186.230 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 7.500 - 2.350 |
| R-factor | 0.185 |
| Rwork | 0.185 |
| R-free | 0.26300 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.800 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | X-PLOR (3.843) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.420 |
| High resolution limit [Å] | 2.350 | 2.350 |
| Rmerge | 0.083 | 0.410 |
| Total number of observations | 139781 * | |
| Number of reflections | 34359 | |
| <I/σ(I)> | 16.5 | |
| Completeness [%] | 96.6 | 92.3 |
| Redundancy | 4.1 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 7 | 277 | used microseeding * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 4.6 (mg/ml) | |
| 2 | 1 | drop | sodium-HEPES | 20 (mM) | |
| 3 | 1 | drop | dithiothreitol | 2.0 (mM) | |
| 4 | 1 | drop | 0.1 (M) | ||
| 5 | 1 | drop | glycerol | 10 (%) | |
| 6 | 1 | reservoir | ammonium acetate | 0.2 (M) | |
| 7 | 1 | reservoir | sodium citrate | 0.1 (M) | |
| 8 | 1 | reservoir | PEG4000 | 30 (%(w/v)) |
