4DMY
Cathepsin K inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-08-24 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.90005 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 31.927, 69.554, 90.645 |
Unit cell angles | 90.00, 99.83, 90.00 |
Refinement procedure
Resolution | 54.880 - 1.630 |
R-factor | 0.13086 |
Rwork | 0.128 |
R-free | 0.19008 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.219 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 54.900 | 1.700 |
High resolution limit [Å] | 1.630 | 1.630 |
Number of reflections | 47594 | |
<I/σ(I)> | 11 | |
Completeness [%] | 97.5 | 87.7 |
Redundancy | 3.2 | 2.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 5.5 | 293 | PEG, pH 5.5, VAPOR DIFFUSION, temperature 293K |