6IC7
Human cathepsin-C in complex with dipeptidyl cyclopropyl nitrile inhibitor 3
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER X8 PROTEUM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-12-01 |
| Detector | Bruker Platinum 135 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 87.365, 87.549, 115.004 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.231 - 2.000 |
| Rwork | 0.160 |
| R-free | 0.20340 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.931 |
| Data reduction software | PROTEUM |
| Data scaling software | PROTEUM |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0238 2018/15/10) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.300 | 2.100 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.069 | 0.164 |
| Number of reflections | 30537 | |
| <I/σ(I)> | 23.8 | 6.1 |
| Completeness [%] | 98.2 | 85.5 |
| Redundancy | 11.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 20.0 % (w/v) PEG 3000 0.2 M ammonium citrate dibasic 2.5 mM DTT |
