1AU2
CRYSTAL STRUCTURE OF THE CYSTEINE PROTEASE HUMAN CATHEPSIN K IN COMPLEX WITH A COVALENT PROPANONE INHIBITOR
Experimental procedure
Source type | ROTATING ANODE |
Source details | SIEMENS |
Temperature [K] | 293 |
Detector technology | AREA DETECTOR |
Collection date | 1996-10 |
Detector | SIEMENS |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 58.240, 58.240, 131.700 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 8.000 - 2.600 |
R-factor | 0.24 |
Rwork | 0.240 |
R-free | 0.33300 |
Structure solution method | MR |
Starting model (for MR) | 1atk |
RMSD bond length | 0.020 |
RMSD bond angle | 24.600 * |
Data reduction software | XENGEN |
Data scaling software | XENGEN |
Phasing software | X-PLOR (3.1) |
Refinement software | X-PLOR (3.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.000 | 2.590 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.092 | 0.320 |
Number of reflections | 34271 | |
<I/σ(I)> | 6.3 | 1.6 |
Completeness [%] | 92.0 | 74 |
Redundancy | 4 | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion * | 4.5 | 18% PEG 8000, 0.12M LI2SO4, 0.06M SODIUM ACETATE, 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) |