2DJF
Crystal Structure of human dipeptidyl peptidase I (Cathepsin C) in complex with the inhibitor Gly-Phe-CHN2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MAX II BEAMLINE I711 |
| Synchrotron site | MAX II |
| Beamline | I711 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-10-29 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.094 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 87.000, 89.030, 115.570 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.750 - 2.000 |
| R-factor | 0.16322 |
| Rwork | 0.161 |
| R-free | 0.20025 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1k3b |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.486 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.750 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Number of reflections | 143822 | |
| Completeness [%] | 97.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 298 | 23% PEG 4000, 0.22M ammonium acetate and 0.1M MES, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
