6BGP
Crystal Structure of Human Calpain-3 Protease Core Mutant-C129A
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 | 2014-09-18 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.0781 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 60.100, 106.180, 225.620 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 17.940 - 2.750 |
| R-factor | 0.2117 |
| Rwork | 0.209 |
| R-free | 0.25840 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6bdt |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.204 |
| 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] | 30.000 | 2.770 |
| High resolution limit [Å] | 2.750 | 2.750 |
| Rmeas | 0.170 | 1.440 |
| Number of reflections | 38363 | 8698 |
| <I/σ(I)> | 16.42 | 2.38 |
| Completeness [%] | 99.7 | 100 |
| Redundancy | 14.69 | 14.97 |
| CC(1/2) | 0.998 | 0.760 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 295.15 | PEG 8000, MES, calcium chloride |
