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 |