6IC6
Human cathepsin-C in complex with cyclopropyl peptidyl nitrile inhibitor 1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MAX II BEAMLINE I911-2 |
| Synchrotron site | MAX II |
| Beamline | I911-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-12-10 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.03796 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 86.690, 87.770, 115.030 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.026 - 1.898 |
| Rwork | 0.147 |
| R-free | 0.18580 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | in-house structure |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.843 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0238 2018/15/10) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.026 | 1.950 |
| High resolution limit [Å] | 1.898 | 1.898 |
| Rmerge | 0.050 | 0.394 |
| Number of reflections | 34042 | |
| <I/σ(I)> | 18.4 | 3.4 |
| Completeness [%] | 97.2 | 96 |
| Redundancy | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5 | 291 | 20.0 % (w/v) PEG 6000 0.1 M sodium citrate pH 5.0 |
