3RDY
Crystal Structure of buckwheat trypsin inhibitor rBTI at 1.84 angstrom resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BSRF BEAMLINE 1W2B |
| Synchrotron site | BSRF |
| Beamline | 1W2B |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2009-12-03 |
| Detector | MAR555 FLAT PANEL |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 62.654, 62.654, 45.906 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 14.464 - 1.840 |
| R-factor | 0.1916 |
| Rwork | 0.191 |
| R-free | 0.21560 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3rdz |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.390 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 15.000 | 1.910 |
| High resolution limit [Å] | 1.840 | 1.840 |
| Rmerge | 0.080 | 0.500 |
| Number of reflections | 8344 | |
| <I/σ(I)> | 46.4 | 4.7 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 24.1 | 23.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.4 | 291 | 24% (w/v) PEG MME 2000, 220mM ammonium sulfate, 100mM sodium acetate (pH 4.4), 100mM sodium iodide, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
