2HHN
Cathepsin S in complex with non covalent arylaminoethyl amide.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.3 |
Synchrotron site | ALS |
Beamline | 5.0.3 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2003-08-28 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 1 |
Spacegroup name | P 41 2 2 |
Unit cell lengths | 85.532, 85.532, 150.403 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 84.200 - 1.550 |
R-factor | 0.15669 |
Rwork | 0.155 |
R-free | 0.17994 |
Structure solution method | RIGID BODY REFINEMENT |
Starting model (for MR) | 2f1g |
RMSD bond length | 0.013 |
RMSD bond angle | 1.422 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 84.200 | 1.620 |
High resolution limit [Å] | 1.550 | 1.550 |
Rmerge | 0.058 | 0.509 |
Number of reflections | 73915 | |
<I/σ(I)> | 21.5 | 2.33 |
Completeness [%] | 96.2 | 86.3 |
Redundancy | 3.54 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 278 | 20% PEG-8000, 0.4M Lithium Sulfate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 278K |