2DCA
X-ray crystal structure analysis of bovine spleen cathepsin B-CA075 complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU300 |
Temperature [K] | 120 |
Detector technology | IMAGE PLATE |
Collection date | 2005-03-25 |
Detector | RIGAKU RAXIS IIC |
Wavelength(s) | 1.5418 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 72.190, 72.190, 139.710 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 9.990 - 2.110 |
R-factor | 0.185 |
Rwork | 0.185 |
R-free | 0.20900 |
Structure solution method | ISOMORPHOUS REPLACEMENT |
Starting model (for MR) | 1ito |
RMSD bond length | 0.006 |
RMSD bond angle | 1.400 |
Phasing software | CNS |
Refinement software | CNS (1.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.250 |
High resolution limit [Å] | 2.110 | 2.110 |
Rmerge | 0.059 | 0.110 |
Number of reflections | 32750 | |
Completeness [%] | 99.5 | 95.7 |
Redundancy | 7.5 | 7.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 3.5 | 289 | 50mM sodium citrate, 2.4M sodium phosphate, pH 3.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K |