3CBJ
Chagasin-Cathepsin B complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MAX II BEAMLINE I911-5 |
| Synchrotron site | MAX II |
| Beamline | I911-5 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-04-21 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.907 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 135.255, 30.778, 79.745 |
| Unit cell angles | 90.00, 92.68, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.800 |
| R-factor | 0.16501 |
| Rwork | 0.163 |
| R-free | 0.20982 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1huc |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.533 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 79.560 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.076 | 0.487 |
| Number of reflections | 30592 | |
| <I/σ(I)> | 14.5 | 2.3 |
| Completeness [%] | 98.9 | 97.2 |
| Redundancy | 2.6 | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 291 | 0.2 M ammonium dihydrogen phosphate, 20% PEG 3350, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
