2FQ9
Cathepsin S with nitrile inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.1 |
Synchrotron site | ALS |
Beamline | 5.0.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-01-25 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 1.00 |
Spacegroup name | P 41 2 2 |
Unit cell lengths | 85.239, 85.239, 150.966 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 26.800 - 1.650 |
Rwork | 0.198 |
R-free | 0.21200 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 1.290 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | EPMR |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 26.800 | 1.750 |
High resolution limit [Å] | 1.650 | 1.650 |
Number of reflections | 65005 | |
Completeness [%] | 95.8 | 88.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 5 | 298 | 22.5-30% PEG 8K, 0.1M sodium citrate (pH 5.0), 0.2M ammonium sulfate, VAPOR DIFFUSION, temperature 298K |