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 |