3BOW
Structure of M-calpain in complex with Calpastatin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X6A |
| Synchrotron site | NSLS |
| Beamline | X6A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-04-24 |
| Detector | ADSC QUANTUM 210 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 67.477, 66.985, 108.656 |
| Unit cell angles | 90.00, 100.76, 90.00 |
Refinement procedure
| Resolution | 66.230 - 2.400 |
| R-factor | 0.20062 |
| Rwork | 0.198 |
| R-free | 0.25784 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1KFU PDB ENTRY 1TL9 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.237 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 66.965 | 2.530 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.084 | 0.317 |
| Number of reflections | 36208 | |
| <I/σ(I)> | 7.7 | 2.2 |
| Completeness [%] | 96.7 | 82.5 |
| Redundancy | 3.6 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 298 | pH 6.5, microbatch under paraffin oil, temperature 298K |
