2QN5
Crystal Structure and Functional Study of the Bowman-Birk Inhibitor from Rice Bran in Complex with Bovine Trypsin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL12B2 |
| Synchrotron site | SPring-8 |
| Beamline | BL12B2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-10-12 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 69.653, 69.653, 158.169 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 3.000 |
| Rwork | 0.256 |
| R-free | 0.32200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ABC and 1C2A |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.627 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.820 |
| High resolution limit [Å] | 2.720 | 2.720 |
| Number of reflections | 11039 | |
| <I/σ(I)> | 36.1 | 3.85 |
| Completeness [%] | 98.9 | 95.8 |
| Redundancy | 10.6 | 9.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 11% PEG6000, 0.1M HEPES , pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
