1VBW
Crystal Structure of Bitter Gourd Trypsin 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 | 2003-12-14 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.8 |
| Spacegroup name | P 1 |
| Unit cell lengths | 22.662, 23.023, 27.685 |
| Unit cell angles | 92.05, 100.11, 101.80 |
Refinement procedure
| Resolution | 10.000 - 0.930 |
| R-factor | 0.114 |
| Rwork | 0.114 |
| R-free | 0.14300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ci2 |
| RMSD bond length | 0.016 |
| RMSD bond angle | 0.330 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 0.950 |
| High resolution limit [Å] | 0.930 | 0.930 |
| Rmerge | 0.046 | 0.282 |
| Number of reflections | 34146 | |
| <I/σ(I)> | 39.8 | 3.7 |
| Completeness [%] | 93.9 | 88.1 |
| Redundancy | 4 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | Potassium sodium tartrate, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
