1PYO
Crystal Structure of Human Caspase-2 in Complex with Acetyl-Leu-Asp-Glu-Ser-Asp-cho
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 90 |
| Detector technology | CCD |
| Collection date | 2003-02-08 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.9184 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 63.649, 96.583, 97.547 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 * - 1.650 |
| Rwork | 0.189 |
| R-free | 0.21300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1cp3 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.595 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 1.710 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmerge | 0.092 * | 0.476 * |
| Number of reflections | 74129 | |
| <I/σ(I)> | 21.14 | 2.03 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 7.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 * | 4 * | PEG 6000, MOPS, DTT, SUCROSE, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | HEPES | 20 (mM) | pH7.5 |
| 2 | 1 | drop | 150 (mM) | ||
| 3 | 1 | drop | sucrose | 10 (%(w/v)) | |
| 4 | 1 | drop | dithiothreitol | 8 (mM) | |
| 5 | 1 | drop | protein | 1.2-2.0 (mg/ml) | |
| 6 | 1 | reservoir | PEG6000 | 25 (%(w/v)) | |
| 7 | 1 | reservoir | MOPS | 100 (mM) | pH7.0 |
