6IC5
Human cathepsin-C in complex with dipeptidyl cyclopropyl nitrile inhibitor 2
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 | 86.975, 88.329, 115.183 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 27.505 - 2.000 |
| Rwork | 0.152 |
| R-free | 0.19830 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.838 |
| Data reduction software | PROTEUM2 |
| Data scaling software | SCALA |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0238 2018/15/10) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 27.900 | 2.100 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.060 | 0.212 |
| Number of reflections | 29396 | |
| <I/σ(I)> | 29.8 | 6.9 |
| Completeness [%] | 94.0 | 61.2 |
| Redundancy | 11.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 291 | 20.0 % (w/v) PEG 3000 0.1 M sodium citrate pH 5.6 |
