2F1G
Cathepsin S in complex with non-covalent 2-(Benzoxazol-2-ylamino)-acetamide
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] | 190 |
Detector technology | CCD |
Collection date | 2003-03-25 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 1.0 |
Spacegroup name | P 41 2 2 |
Unit cell lengths | 85.250, 85.250, 151.613 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 84.510 - 1.900 |
R-factor | 0.19125 |
Rwork | 0.189 |
R-free | 0.23033 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.013 |
RMSD bond angle | 1.476 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 84.510 | 1.970 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.110 | 0.737 |
Number of reflections | 39331 | |
<I/σ(I)> | 14.31 | 1.75 |
Completeness [%] | 92.4 | 85.5 |
Redundancy | 4.2 | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 278 | 20% Peg-8000, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 278K |