2FTD
Crystal structure of Cathepsin K complexed with 7-Methyl-Substituted Azepan-3-one compound
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-ID |
Synchrotron site | APS |
Beamline | 17-ID |
Temperature [K] | 93 |
Detector technology | CCD |
Collection date | 2002-04-01 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 74.874, 74.874, 339.555 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 25.000 - 2.550 |
Rwork | 0.237 |
R-free | 0.28370 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.008 |
RMSD bond angle | 1.296 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 100.000 | 2.590 |
High resolution limit [Å] | 2.550 | 2.550 |
Number of reflections | 17372 | |
<I/σ(I)> | 19 | 10.2 |
Completeness [%] | 89.2 | 65 |
Redundancy | 9.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 283 | 28% PEG 400 as precipitant, in 0.1 M Hepes buffer, at pH 7.5 containing 0.2 M CaCl2, temperature 283K, VAPOR DIFFUSION, SITTING DROP |