2G81
Crystal Structure of the Bowman-Birk Inhibitor from Vigna unguiculata Seeds in Complex with Beta-trypsin at 1.55 Angstrons Resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | LNLS BEAMLINE D03B-MX1 |
| Synchrotron site | LNLS |
| Beamline | D03B-MX1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-07-28 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.431 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 60.497, 61.109, 79.264 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.550 |
| R-factor | 0.15513 |
| Rwork | 0.154 |
| R-free | 0.16852 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1tab |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.483 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 1.610 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Number of reflections | 43170 | |
| <I/σ(I)> | 30.5 | 4.9 |
| Completeness [%] | 99.5 | 98.6 |
| Redundancy | 6.3 | 6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 294 | 0.1M Hepes-Na buffer pH 7.5, 5% (v/v) PEG 400, 2.0M ammonium sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 294K |
