3CBK
chagasin-cathepsin B
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 | 2007-04-20 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.041 |
| Spacegroup name | P 42 21 2 |
| Unit cell lengths | 85.066, 85.066, 115.691 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.670 |
| R-factor | 0.19543 |
| Rwork | 0.193 |
| R-free | 0.24232 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3cbj |
| RMSD bond length | 0.024 |
| RMSD bond angle | 2.357 |
| 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] | 68.520 | 2.770 |
| High resolution limit [Å] | 2.670 | 2.670 |
| Rmerge | 0.109 | 0.576 |
| Number of reflections | 11903 | |
| <I/σ(I)> | 15 | 2.1 |
| Completeness [%] | 94.4 | 96.5 |
| Redundancy | 5.7 | 5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.2 | 291 | 0.14M ammonium fluoride, 14% PEG 3350, pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
