1AYW
CRYSTAL STRUCTURE OF CYSTEINE PROTEASE HUMAN CATHEPSIN K IN COMPLEX WITH A COVALENT BENZYLOXYBENZOYLCARBOHYDRAZIDE INHIBITOR
Experimental procedure
Source type | ROTATING ANODE |
Source details | SIEMENS |
Temperature [K] | 293 |
Detector technology | AREA DETECTOR |
Collection date | 1996-07 |
Detector | SIEMENS |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 57.680, 57.680, 131.120 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 8.000 - 2.400 |
R-factor | 0.237 |
Rwork | 0.237 |
R-free | 0.37900 |
Structure solution method | MR |
Starting model (for MR) | 1atk |
RMSD bond length | 0.008 |
RMSD bond angle | 24.000 * |
Data reduction software | XENGEN |
Data scaling software | XENGEN |
Phasing software | X-PLOR |
Refinement software | X-PLOR |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.000 | 2.560 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.052 | 0.230 |
Number of reflections | 8365 | |
<I/σ(I)> | 19.6 | 3 |
Completeness [%] | 91.0 | 61 |
Redundancy | 4 | 2.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion * | 4.5 | 22.5% PEG 8000, 0.075M SODIUM ACETATE, 0.15M LITHIUM ACETATE, PH4.5 |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | reservoir | PEG8000 | 22.5 (%) | |
2 | 1 | reservoir | sodium acetate | 0.075 (M) | |
3 | 1 | reservoir | lithium sulfate | 0.15 (M) |