4DMX
Cathepsin K inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-07-27 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.0370 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 32.362, 83.958, 35.999 |
Unit cell angles | 90.00, 109.96, 90.00 |
Refinement procedure
Resolution | 83.000 - 1.700 |
R-factor | 0.15839 |
Rwork | 0.156 |
R-free | 0.20574 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.260 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 83.000 | 1.790 |
High resolution limit [Å] | 1.700 | 1.700 |
Number of reflections | 19225 | |
<I/σ(I)> | 3.2 | |
Completeness [%] | 96.6 | 81 |
Redundancy | 3.3 | 2.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 5.5 | 293 | PEG, pH 5.5, VAPOR DIFFUSION, temperature 293K |