3HHA
Crystal structure of cathepsin L in complex with AZ12878478
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2007-10-28 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 1.0000 |
Spacegroup name | P 1 |
Unit cell lengths | 57.260, 62.690, 68.240 |
Unit cell angles | 105.60, 93.22, 115.55 |
Refinement procedure
Resolution | 44.280 - 1.270 |
R-factor | 0.11812 |
Rwork | 0.116 |
R-free | 0.15237 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.011 |
RMSD bond angle | 1.355 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.280 | 1.330 |
High resolution limit [Å] | 1.270 | 1.270 |
Rmerge | 0.034 | 0.098 |
Number of reflections | 182842 | |
Completeness [%] | 85.6 | 65.8 |
Redundancy | 1.5 | 0.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7.4 | 293 | PEG, pH 7.4, VAPOR DIFFUSION, temperature 293K |