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 |