4OEM
Crystal structure of Cathepsin C in complex with dipeptide substrates
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-D |
| Synchrotron site | APS |
| Beamline | 21-ID-D |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-01-01 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.9786 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 84.920, 89.016, 115.098 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 27.490 - 1.520 |
| R-factor | 0.1649 |
| Rwork | 0.164 |
| R-free | 0.17770 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.040 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | BUSTER-TNT |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.450 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Number of reflections | 85432 | |
| <I/σ(I)> | 12.1 | 2.22 |
| Completeness [%] | 98.4 | 88.7 |
| Redundancy | 6.7 | 5.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 16-26% polyethylene glycol-3350 at pH 6.0-6.9 in 200 mM MgCl2, 100 mM Bis-Tris buffer, sitting drop, temperature 298K, VAPOR DIFFUSION, SITTING DROP |
