1TLO
High resolution crystal structure of calpain I protease core in complex with E64
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CHESS BEAMLINE F1 |
Synchrotron site | CHESS |
Beamline | F1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2003-08-11 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.937 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 40.520, 69.760, 108.960 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.900 |
R-factor | 0.272 |
Rwork | 0.238 |
R-free | 0.27200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1kxr |
RMSD bond length | 0.006 |
RMSD bond angle | 1.192 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | CNS (1.1 & XFIT) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.970 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.077 | 0.349 |
Number of reflections | 24647 | |
<I/σ(I)> | 27.8 | 6 |
Completeness [%] | 98.0 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | sodium chloride, calcium chloride, MES, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 100K |