2AUZ
Cathepsin K complexed with a semicarbazone inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 200 |
Detector technology | IMAGE PLATE |
Collection date | 1998-06-12 |
Detector | RIGAKU RAXIS II |
Wavelength(s) | 1.54 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 56.704, 56.704, 130.375 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 52.000 - 2.300 |
Rwork | 0.193 |
R-free | 0.23900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1atk |
RMSD bond length | 0.006 |
RMSD bond angle | 1.210 |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 52.000 | 2.380 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.053 | 0.112 |
Number of reflections | 9442 | |
<I/σ(I)> | 37 | 14 |
Completeness [%] | 95.1 | 88.4 |
Redundancy | 4.7 | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 0.2M ammonium sulfate, 30% PEG8000, pH 5.5, VAPOR DIFFUSION, SITTING DROP |