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)) |