4OKH
Crystal structure of calpain-3 penta-EF-hand domain
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-B |
Synchrotron site | APS |
Beamline | 23-ID-B |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-08-09 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.9 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 107.000, 107.000, 96.710 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.850 - 2.450 |
R-factor | 0.2019 |
Rwork | 0.198 |
R-free | 0.26870 |
Structure solution method | MR-SAD |
Starting model (for MR) | 1alv |
RMSD bond length | 0.012 |
RMSD bond angle | 1.518 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 47.852 | 47.850 | 2.510 |
High resolution limit [Å] | 2.450 | 10.960 | 2.450 |
Rmerge | 0.137 | 0.047 | 1.668 |
Number of reflections | 21268 | 295 | 1538 |
<I/σ(I)> | 18.01 | 48.19 | 2.19 |
Completeness [%] | 100.0 | 97.7 | 100 |
Redundancy | 14.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 0.1 M HEPES, 10% PEG 8000, 8% 1,2-ethanediol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |