2DCB
X-ray crystal structure analysis of bovine spleen cathepsin B-CA076 complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU300 |
Temperature [K] | 120 |
Detector technology | IMAGE PLATE |
Collection date | 2005-06-20 |
Detector | RIGAKU RAXIS IIC |
Wavelength(s) | 1.5418 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 72.440, 72.440, 140.000 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 9.970 - 1.940 |
R-factor | 0.183 |
Rwork | 0.183 |
R-free | 0.19300 |
Structure solution method | ISOMORPHOUS REPLACEMENT |
Starting model (for MR) | 1ito |
RMSD bond length | 0.008 |
RMSD bond angle | 1.400 |
Phasing software | CNS |
Refinement software | CNS (1.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 28.900 | 2.010 |
High resolution limit [Å] | 1.940 | 1.940 |
Rmerge | 0.049 | 0.150 |
Number of reflections | 27812 | |
Completeness [%] | 98.0 | 96.2 |
Redundancy | 13.94 | 13.83 |
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 |