2OCT
Stefin B (Cystatin B) tetramer
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ELETTRA BEAMLINE 5.2R |
| Synchrotron site | ELETTRA |
| Beamline | 5.2R |
| Temperature [K] | 110 |
| Wavelength(s) | 1.0000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 120.123, 30.857, 51.349 |
| Unit cell angles | 90.00, 95.81, 90.00 |
Refinement procedure
| Resolution | 10.000 - 1.400 |
| R-factor | 0.18 |
| Rwork | 0.176 |
| R-free | 0.18900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1stf |
| RMSD bond length | 0.015 |
| RMSD bond angle | 2.280 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.000 | 1.450 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.110 | 0.587 |
| Number of reflections | 37806 | |
| Completeness [%] | 100 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 295 | 30 % MPD, 0.1 M HEPES, 1.4-butanediol as additive, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K |
