2DC6
X-ray crystal structure analysis of bovine spleen cathepsin B-CA073 complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU300 |
Temperature [K] | 120 |
Detector technology | IMAGE PLATE |
Collection date | 2005-12-03 |
Detector | RIGAKU RAXIS IIC |
Wavelength(s) | 1.5418 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 72.140, 72.140, 139.670 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 9.980 - 2.300 |
R-factor | 0.201 |
Rwork | 0.201 |
R-free | 0.23200 |
Structure solution method | ISOMORPHOUS REPLACEMENT |
Starting model (for MR) | 1ito |
RMSD bond length | 0.006 |
RMSD bond angle | 1.300 |
Phasing software | CNS |
Refinement software | CNS (1.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 64.100 | 2.440 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.103 | |
Number of reflections | 16958 | |
Completeness [%] | 99.2 | 100 |
Redundancy | 7.69 |
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 |