2ARY
Catalytic domain of Human Calpain-1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-08-13 |
| Detector | SBC-3 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 90.534, 90.534, 433.102 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 44.320 - 2.400 |
| R-factor | 0.22174 |
| Rwork | 0.220 |
| R-free | 0.26387 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1tlo |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.127 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.320 | 2.490 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.089 | 0.569 |
| Number of reflections | 42153 | |
| <I/σ(I)> | 20.56 | 1.44 |
| Completeness [%] | 98.9 | 94.6 |
| Redundancy | 8.4 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.75 | 298 | 1.5 M Ammononium Formate, 0.1 M Tris pH 7.75, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K, pH 7.75 |
