4I07
Structure of mature form of cathepsin B1 from Schistosoma mansoni
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-BM |
Synchrotron site | APS |
Beamline | 19-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-07-10 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 0.978 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 33.143, 79.173, 90.483 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.790 - 1.300 |
R-factor | 0.13936 |
Rwork | 0.137 |
R-free | 0.17667 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3qsd |
RMSD bond length | 0.013 |
RMSD bond angle | 1.437 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.3.0037) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.320 |
High resolution limit [Å] | 1.300 | 1.300 |
Rmerge | 0.077 | 0.438 |
Number of reflections | 59658 | |
<I/σ(I)> | 33.7 | 4 |
Completeness [%] | 89.9 | 49.3 |
Redundancy | 7.3 | 5.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 293 | Reservoir: 0.2M Ammonium Acetate, 0.1M Sodium Citrate, 30% PEG 4000. Protein buffer and concentration: 5mM Sodium Acetate, pH 5.5, Cpr=2.5mg/ml. Ratio Protein: Reservoir=1:1. Cryocooled in mother liquor, VAPOR DIFFUSION, HANGING DROP, temperature 293K |