1ITO
Crystal Structure Analysis of Bovine Spleen Cathepsin B-E64c complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU300 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Detector | RIGAKU RAXIS IIC |
Wavelength(s) | 1.5418 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 72.578, 72.578, 141.835 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 10.000 - 2.300 * |
Rwork | 0.197 |
R-free | 0.23900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1qdq |
RMSD bond length | 0.006 |
RMSD bond angle | 24.970 * |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.300 |
High resolution limit [Å] | 2.300 * | 2.286 |
Rmerge | 0.092 | 0.211 |
Total number of observations | 58117 * | |
Number of reflections | 15102 | |
Completeness [%] | 84.3 | 62.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.5 * | 15 * | Sodium phosphate, pH 3.5, VAPOR DIFFUSION, HANGING DROP, temperature 288K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 9 (mg/ml) | |
2 | 1 | reservoir | acetate | 50 (mM) | pH4.5 |
3 | 1 | reservoir | sodium phosphate | 2.8 (M) |