4OD9
Structure of Cathepsin D with inhibitor N-(3,4-dimethoxybenzyl)-Nalpha-{N-[(3,4-dimethoxyphenyl)acetyl]carbamimidoyl}-D-phenylalaninamide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2011-04-01 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.999 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 42.480, 73.100, 234.190 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.000 - 1.900 |
R-factor | 0.185 |
Rwork | 0.183 |
R-free | 0.21650 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.120 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | BUSTER (2.11.4) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.700 | 2.010 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.139 | 0.486 |
<I/σ(I)> | 3.09 | |
Completeness [%] | 99.2 | 97.9 |
Redundancy | 5.97 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 5.5 | 298 | 35% PEG2000, 0,1 M KCl, 0.1 M Na-Acetat (pH 5.5), VAPOR DIFFUSION, temperature 298K |