6BDT
Crystal Structure of Human Calpain-3 Protease Core Mutant-C129S
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 | 2014-04-03 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.0781 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 59.810, 105.490, 225.260 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 17.990 - 2.300 |
| R-factor | 0.2236 |
| Rwork | 0.222 |
| R-free | 0.25600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1mdw |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.350 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.320 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmeas | 0.210 | 1.300 |
| Number of reflections | 62975 | 33695 |
| <I/σ(I)> | 11.22 | 2.16 |
| Completeness [%] | 97.9 | 96.5 |
| Redundancy | 14.2 | 13.89 |
| CC(1/2) | 0.997 | 0.800 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 295.15 | PEG 8000, MES, calcium chloride |
