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 |