2FJ8
High resolution structure of barley Bowman-Birk inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NW12A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-05-24 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.00000 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 62.342, 62.342, 95.257 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.190 |
| R-factor | 0.21284 |
| Rwork | 0.211 |
| R-free | 0.24407 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.457 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.230 |
| High resolution limit [Å] | 1.190 | 1.190 |
| Number of reflections | 58682 | |
| Completeness [%] | 96.6 | 100 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.64 | 295 | PEG3000, pH 5.64, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
