1BGO
CRYSTAL STRUCTURE OF CYSTEINE PROTEASE HUMAN CATHEPSIN K IN COMPLEX WITH A COVALENT PEPTIDOMIMETIC INHIBITOR
Experimental procedure
Source type | ROTATING ANODE |
Source details | SIEMENS |
Temperature [K] | 287 |
Detector technology | AREA DETECTOR |
Collection date | 1997-09 |
Detector | XENTRONICS |
Spacegroup name | P 43 |
Unit cell lengths | 71.550, 71.550, 55.090 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 8.000 - 2.300 |
R-factor | 0.24 |
Rwork | 0.240 |
R-free | 0.29600 |
Structure solution method | MR |
Starting model (for MR) | 1atk |
RMSD bond length | 0.017 |
RMSD bond angle | 25.200 * |
Data reduction software | CCP4 |
Data scaling software | CCP4 |
Phasing software | X-PLOR (3.851) |
Refinement software | X-PLOR (3.851) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 35.000 | 2.400 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.089 | 0.270 |
Number of reflections | 11258 | |
<I/σ(I)> | 12.4 | 1.8 |
Completeness [%] | 89.0 | 54 |
Redundancy | 3.6 | 1.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion * | 4.5 | 20 * | pH 4.5 |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | reservoir | PEG8000 | 18 (%) | |
2 | 1 | reservoir | sodium acetate | 0.06 (M) | |
3 | 1 | reservoir | 0.12 (M) |